SCHEMBL266931

SCHEMBL266931

CC(N)Cc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
SLC6A2 P23975 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
MAOA P21397 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HTR2B P41595 2/20 0.52
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL31054151 1.00 HTR2A (0.55) HTR2AHTR2CSLC6A2TAAR1SLC6A4
SCHEMBL31054201 1.00 HTR2A (0.55) HTR2AHTR2CSLC6A2TAAR1SLC6A4
Hydrochloric Acid SCHEMBL1191449 0.98 HTR2A (0.54) HTR2AHTR2CSLC6A2TAAR1SLC6A4
SCHEMBL20495645 0.85 CYP1A2 (0.47) HTR2AHTR2CSIGMAR1CYP1A2CYP2C19
SCHEMBL30119544 0.85 CYP1A2 (0.47) HTR2AHTR2CSIGMAR1CYP1A2CYP2C19
SCHEMBL331127 0.83 GABRA1 (0.54) SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1
SCHEMBL3681421 0.83 CYP1A2 (0.52) SLC6A4SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL7528890 0.83 CYP1A2 (0.53) SLC6A4SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL24548553 0.83 CTNNB1 (0.53) CTNNB1
SCHEMBL16449785 0.83 CTNNB1 (0.53) CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US claimed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP claimed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO claimed
CN-102170874-A Compositions and methods for treating psychiatric disorders GOSFORTH CT HOLDINGS PTY LTD 2011-08-31 CN claimed
US-7470812-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-30 US claimed
US-7465826-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-16 US claimed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 US claimed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 US claimed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US claimed
EP-1802568-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-04 EP claimed
WO-2007035789-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 WO claimed
CN-110114368-B Targeted mutant interferon-gamma and uses thereof 奥睿尼斯生物科学私人有限公司 2024-08-02 CN disclosed
EP-3455203-B1 VINYLOGOUS PHENETHYLAMINES AS NEUROTRANSMITTER RELEASERS RES TRIANGLE INST (US) 2021-09-22 EP disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 US disclosed
US-10899699-B2 Vinylogous phenethylamines as neurotransmitter releasers RESEARCH TRIANGLE INSTITUTE (US) 2021-01-26 US disclosed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 EP disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 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 (6 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-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin GABRE, GABRA5, GABRA6 HTR2A 353/4885HTR2C 242/4885SLC6A2 2357/4885
US-10899699-B2 Vinylogous phenethylamines as neurotransmitter releasers SLC18A2, SLC6A2, SLC18A3 HTR2A 10/4885HTR2C 11/4885SLC6A2 2/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID HTR2A 3241/4885HTR2C 2540/4885SLC6A2 4706/4885
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 HTR2A 353/4885HTR2C 242/4885SLC6A2 2357/4885
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES BRCA1, VHL, TP53 HTR2A 3785/4885HTR2C 4143/4885SLC6A2 2466/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 HTR2A 353/4885HTR2C 242/4885SLC6A2 2357/4885

“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.