SCHEMBL7314532

SCHEMBL7314532

O=C1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
MBTD1 Q05BQ5 5/20 0.44
HRH3 Q9Y5N1 1/20 0.41
TP53BP1 Q12888 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39

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
SCHEMBL10538464 1.00 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1HRH3TP53BP1
SCHEMBL7320872 0.98 L3MBTL3 (0.45) L3MBTL3L3MBTL1MBTD1HRH3TP53BP1
SCHEMBL20160890 0.93 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1HRH3TP53BP1
SCHEMBL863893 0.89 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL864488 0.86 L3MBTL3 (0.40) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL7634170 0.81 OPRM1 (0.46) HRH3ALDH1A1
SCHEMBL1181799 0.81 OPRM1 (0.46) HRH3ALDH1A1
SCHEMBL551401 0.81 OPRM1 (0.46) HRH3ALDH1A1
SCHEMBL21047675 0.81 OPRM1 (0.46) HRH3ALDH1A1
SCHEMBL7633925 0.81 OPRM1 (0.46) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 US disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 EP disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 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 (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-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 L3MBTL3 4135/4885L3MBTL1 3976/4885MBTD1 3772/4885
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES CYP3A4, CYP4B1, CYP3A7 L3MBTL3 3473/4885L3MBTL1 3549/4885MBTD1 4492/4885

“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.