SCHEMBL301359

SCHEMBL301359

CCc1cccc(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.62
HTR7 P34969 8/20 0.60
HTR1A P08908 6/20 0.60
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
HTR2C P28335 3/20 0.57
THRB P10828 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR2B P41595 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9742661 0.98 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL11552421 0.98 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL31337508 0.85 CYP2D6 (0.66) ADRB1HTR7HTR1ATP53CYP1A2
SCHEMBL166575 0.84 PRMT6 (0.65) ALDH1A1MAPT
SCHEMBL19604155 0.84 PRMT6 (0.60) DRD2DRD3ALDH1A1MAPT
SCHEMBL27475990 0.83 HTR7 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL7415117 0.83 HTR7 (0.62) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL10021784 0.83 HTR7 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL3204004 0.83 HTR7 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL4480384 0.82 PRMT6 (0.68) ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
EP-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 EP disclosed
EP-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 EP disclosed
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis GALAPAGOS NV (BE) 2020-11-10 US disclosed
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis GALAPAGOS NV (BE) 2020-11-10 US disclosed
EP-3556350-A1 PHARMACEUTICAL PREPARATION COMPRISING AN ANTIVIRAL DIHYDROQUINAZOLINE DERIVATIVE WITH S CONFIGURATION IN POSITION 4 AiCuris Anti-infective Cures GmbH (DE) 2019-10-23 EP disclosed
US-20190315719-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-17 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
EP-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
EP-0974573-A1 PHENYLPROPENONE COMPOUNDS AND MEDICINES CONTAINING THE SAME Kabushiki Kaisha Yakult Honsha (JP) 2000-01-26 EP disclosed
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
US-5086055-A Treating asthma, rhinitis, atopic dermatitis, chronic hives and conjunctivitis A. H. ROBINS COMPANY, INCORPORATED (US) 1992-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315719-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS ADAMTS5, ADAMTS4, ADAMTS1 ADRB1 3589/4885HTR7 1551/4885HTR1A 433/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 ADRB1 371/4885HTR7 426/4885HTR1A 191/4885
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 ADRB1 2441/4885HTR7 2576/4885HTR1A 3731/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885HTR7 426/4885HTR1A 191/4885
US-10829478-B2 5-[3-[piperazin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating e.g. osteoarthritis ADAMTS5, ADAMTS4, ADAMTS1 ADRB1 3589/4885HTR7 1551/4885HTR1A 433/4885
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 ADRB1 4660/4885HTR7 4127/4885HTR1A 4263/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ADRB1 1388/4885HTR7 3334/4885HTR1A 2512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.