SCHEMBL12413786

SCHEMBL12413786

COc1ccc(CC(C)C)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
HTR2A P28223 1/20 0.45
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
APLNR P35414 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL18867917 0.85 GAA (0.53) GAAHTR2AMTNR1BTAAR1ADRA1A
SCHEMBL23841532 0.85 GAA (0.53) GAAHTR2AMTNR1BTAAR1ADRA1A
SCHEMBL13003914 0.84 HTR2A (0.41) HTR2AMAOBKDM1AMAOAAPLNR
SCHEMBL24434722 0.84 TAAR1 (0.42) HTR2AMAOBKDM1AMAOATAAR1
SCHEMBL17965863 0.81 GAA (0.56) GAA
SCHEMBL3677716 0.81 KDM1A (0.44) HTR2AMAOBKDM1AMAOAAPLNR
SCHEMBL12414811 0.81 PDE2A (0.48)
SCHEMBL27702274 0.80 CTSS (0.37) GAAMAOBMAOA
SCHEMBL1443482 0.80 CYP1A1 (0.40) GAAHTR2AMAOBKDM1AMAOA
SCHEMBL13186415 0.79 GAA (0.50) GAAHTR2AMAOBKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF SONATA THERAPEUTICS, INC. 2023-01-12 US disclosed
WO-2012166387-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2009039248-A2 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION STANFORD UNIVERSITY (US) 2009-03-26 WO disclosed
WO-2009039246-A2 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION STANFORD UNIVERSITY (US) 2009-03-26 WO disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 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 (4 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 GAA 3226/4885HTR2A 1057/4885MAOB 2710/4885
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF GRK2, GRK3, GRK1 GAA 1485/4885HTR2A 908/4885MAOB 1512/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 GAA 706/4885HTR2A 4330/4885MAOB 4376/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 GAA 231/4885HTR2A 1206/4885MAOB 869/4885

“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.