SCHEMBL406043

SCHEMBL406043

CC(=O)C1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
FAAH O00519 4/20 0.51
GHSR Q92847 1/20 0.50
PLAU P00749 1/20 0.47
P2RX7 Q99572 1/20 0.47
ANPEP P15144 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL15478536 1.00 MTNR1A (0.57) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL22785039 0.90 MTNR1A (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL434294 0.86 MTNR1A (0.47) MTNR1AMTNR1BFAAHP2RX7
SCHEMBL6427539 0.82 FAAH (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL6534185 0.82 FAAH (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL367535 0.82 FAAH (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL5608206 0.82 FAAH (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL1193346 0.82 FAAH (0.53) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL11790481 0.81 MTNR1A (0.54) MTNR1AMTNR1BFAAHGHSRPLAU
SCHEMBL346421 0.81 PLAU (0.52) MTNR1AMTNR1BFAAHGHSRPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345917-B1 ANTIPROTOZOAL COMPOUNDS BACOBA AG (CH) 2021-11-17 EP disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
EP-3345917-A1 ANTIPROTOZOAL COMPOUNDS Bacoba AG (CH) 2018-07-11 EP disclosed
WO-2017217553-A1 OXIME COMPOUND AND HERBICIDE 日産化学工業株式会社 2017-12-21 WO disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US disclosed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US disclosed
EP-2153832-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed
EP-2285787-B1 3-SUBSTITUTED PROPANAMINE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2015-08-26 EP disclosed
US-20140179845-A1 SUBSTITUTED NAPHTHALENES AS FEEDSTOCK FOR PLASTICIZER PRODUCTION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-06-26 US disclosed
US-5552444-A AGONIST ACTIVITY AT SEROTONIN RECEPTORS, ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5470977-A Serotonin 1A receptor agonists ELI LILLY AND COMPANY (US) 1995-11-28 US disclosed
US-5466709-A Serotonin receptors ELI LILLY AND COMPANY (US) 1995-11-14 US disclosed
US-5426229-A Treatment of sleep, sex, memory and appetite disorders depression, and anxiety; serotinin inhibitors ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
US-5286753-A Serotonin 1a receptor agonists ELI LILLY AND COMPANY (US) 1994-02-15 US disclosed
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 EP 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-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban CYP2S1, PRMT3, ARGLU1 MTNR1A 1216/4885MTNR1B 423/4885FAAH 2518/4885
US-20140179845-A1 SUBSTITUTED NAPHTHALENES AS FEEDSTOCK FOR PLASTICIZER PRODUCTION OXER1, RER1, ACOX1 MTNR1A 1472/4885MTNR1B 2673/4885FAAH 638/4885
US-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 MTNR1A 2684/4885MTNR1B 2181/4885FAAH 4537/4885

“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.