SCHEMBL4928979

SCHEMBL4928979

CC(C)Oc1cccc(N2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.69
TGFBR1 P36897 1/20 0.56
ACVR1 Q04771 1/20 0.56
HTR7 P34969 6/20 0.54
HTR1A P08908 4/20 0.54
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3A P46098 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54
SIGMAR1 Q99720 4/20 0.54
HTR2C P28335 4/20 0.54
THRB P10828 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL25493027 0.94 ADRB1 (0.61) ADRB1TGFBR1ACVR1HTR7HTR1A
SCHEMBL25493025 0.85 KMT2A (0.56) ADRB1HTTALDH1A1MAPT
SCHEMBL5761993 0.84 ADRB1 (0.64) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL25492992 0.83 KMT2A (0.55) ADRB1HTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL6501617 0.83 ADRB1 (0.62) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6414607 0.83 ADRB1 (0.62) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL25492995 0.82 ADRA2C (0.57) HTR3AHTR2CHTTDRD2DRD3
SCHEMBL7838014 0.81 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL379449 0.81 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL4515500 0.81 ADRB1 (0.66) ADRB1TGFBR1ACVR1HTR1AHTR3E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 WO disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 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 (2 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-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH ADRB1 2933/4885TGFBR1 2015/4885ACVR1 692/4885
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR ADRB1 29/4885TGFBR1 3267/4885ACVR1 2097/4885

“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.