SCHEMBL789382

SCHEMBL789382

NCC(S)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.59
HTR2A P28223 3/20 0.59
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HRH1 P35367 2/20 0.48
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8443421 0.78 HRH1 (0.46) TAAR1HTR2AHRH1DPP4F2
SCHEMBL10700271 0.78 HTR2A (0.43) TAAR1HTR2AHRH1DPP4F2
SCHEMBL647478 0.76 HTR2A (0.42) TAAR1HTR2AHRH1DPP4F2
SCHEMBL149259 0.75 HTR2A (1.00) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL6401479 0.74 TRPA1 (0.45) TAAR1HTR2ADPP4CYP2D6TSHR
SCHEMBL13473250 0.74 LMNA (0.58) TAAR1HTR2AHRH1
SCHEMBL879168 0.74 LMNA (0.58) TAAR1HTR2AHRH1
SCHEMBL4260009 0.74 TAAR1 (0.40) TAAR1HTR2AHRH1DPP4F2
SCHEMBL19632871 0.74 TRPA1 (0.45) TAAR1HTR2ADPP4CYP2D6TSHR
SCHEMBL577036 0.74 LMNA (0.58) TAAR1HTR2AHRH1

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
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 WO disclosed
CN-112592382-B Resin, preparation method thereof and application thereof in preparation of head-tail cyclic peptide 安徽大学 2022-10-04 CN disclosed
CN-107722148-A Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2018-02-23 CN disclosed
CN-107722146-A Method for producing solid polyaluminoxane composition 三井化学株式会社 2018-02-23 CN disclosed
CN-104968668-B Solid polyaluminoxane composition, catalyst for olefin polymerization, method for producing olefin polymer, and method for producing solid polyaluminoxane composition 三井化学株式会社 2017-11-17 CN disclosed
US-9249181-B2 C-terminal amidation of polypeptides AMYLIN PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES AstraZeneca Pharmaceuticala LP (US) 2014-02-27 US disclosed
WO-2012036962-A2 C-TERMINAL AMIDATION OF POLYPEPTIDES AMYLIN PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-0053015-A1 1-Phenylthio-2-aminopropane derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed
US-4001284-A PRIMARY AMINES, 2,4-DIPHENOXY-5-SULFAMOYLBENZOIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3972890-A ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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-20140058070-A1 C-TERMINAL AMIDATION OF POLYPEPTIDES IAPP, SELENOI, SCLY TAAR1 2789/4885HTR2A 4756/4885CHRNB2 3641/4885
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 TAAR1 160/4885HTR2A 33/4885CHRNB2 27/4885

“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.