SCHEMBL4688382

SCHEMBL4688382

c1cc2c(c(N3CCNCC3)c1)CCC2

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 1/20 0.51
HTR6 P50406 5/20 0.49
DRD3 P35462 2/20 0.49
HTR7 P34969 2/20 0.49
DRD2 P14416 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
MTOR P42345 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL30839762 1.00 ADRB1 (0.53) ADRB1HTR2CHTR2BHTR6DRD3
Hydrochloric Acid SCHEMBL30183267 0.98 ADRB1 (0.51) ADRB1HTR2CHTR2BHTR6DRD3
Hydrochloric Acid SCHEMBL3280347 0.98 ADRB1 (0.51) ADRB1HTR2CHTR2BHTR6DRD3
SCHEMBL2348878 0.97 ADRB1 (0.53) ADRB1HTR2CHTR2BHTR6DRD3
Hydrochloric Acid SCHEMBL5247444 0.95 ADRB1 (0.51) ADRB1HTR2CHTR2BHTR6DRD3
Hydrochloric Acid SCHEMBL8572545 0.95 ADRB1 (0.51) ADRB1HTR2CHTR2BHTR6DRD3
SCHEMBL5371599 0.95 ADRB1 (0.51) ADRB1HTR2CHTR2BHTR6DRD3
SCHEMBL21995763 0.89 ADRB1 (0.52) ADRB1HTR6DRD3HTR7DRD2
Hydrochloric Acid SCHEMBL21995940 0.88 LMNA (0.53) ADRB1HTR6DRD3HTR7DRD2
SCHEMBL5691238 0.84 KEAP1 (0.46) HTR2CHTR2BDRD2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
US-7705003-B2 Cyclohexylamides as dopamine D3, D2 and 5-HT1A Antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2010-04-27 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
US-20080103140-A1 trans-N-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamidethe; highest affinity to D3 receptor; no disadvantages of each individual receptor action; antidepressant, anxiolitic agent, cognition activator; psychoses, schizophrenia, drug (alcohol, cocaine and nicotine) abuse, hyperactivity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-01 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed
EP-1025100-B1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AG (DE) 2002-01-23 EP disclosed
EP-1140099-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
CN-1277607-A 2-substituted 1,2-benzisothiazole derivatives and their use as serotonin antagonists (5-HT1A, 5-HT1b and 5-HT1D) BASF AG (DE) 2000-12-20 CN disclosed
CN-1277611-A 3-substituted tetrahydropyridopyrimidinone derivatives, process for their preparation and their use BASF AG (DE) 2000-12-20 CN disclosed
EP-1034170-A1 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS (5-HT1A, 5-HT1B AND 5-HT1D) BASF AKTIENGESELLSCHAFT (DE) 2000-09-13 EP disclosed
EP-1025100-A1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-08-09 EP disclosed
WO-2000041697-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-1999021857-A1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed
WO-1999020616-A1 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS (5-HT1A, 5-HT1B AND 5-HT1D) BASF AKTIENGESELLSCHAFT (DE) 1999-04-29 WO 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 (3 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 ADRB1 10/4885HTR2C 75/4885HTR2B 115/4885
US-20080103140-A1 trans-N-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamidethe; highest affinity to D3 receptor; no disadvantages of each individual receptor action; antidepressant, anxiolitic agent, cognition activator; psychoses, schizophrenia, drug (alcohol, cocaine and nicotine) abuse, hyperactivity CHRNA3, HTR3A, DRD2 ADRB1 33/4885HTR2C 13/4885HTR2B 60/4885
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR ADRB1 29/4885HTR2C 13/4885HTR2B 114/4885

“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.