SCHEMBL9230998

SCHEMBL9230998

CC1(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 2/20 0.42
ACHE P22303 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
HSD11B1 P28845 1/20 0.37
CCR2 P41597 1/20 0.36
RECQL P46063 1/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HCAR3 P49019 1/20 0.34

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
SCHEMBL13361601 0.90 SLC6A3 (0.48) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL8365226 0.90 SLC6A3 (0.44) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL14625430 0.88 SLC6A3 (0.52) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL6925220 0.84 SLC6A3 (0.39) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL13074449 0.84 LMNA (0.38) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL6926354 0.83 OPRM1 (0.51) SLC6A3SLC6A4
SCHEMBL9393623 0.81 HSD11B1 (0.39) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL12691648 0.80 MAOB (0.40) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL21131147 0.78 MAOB (0.43) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL20743121 0.78 SLC6A3 (0.42) MAOBMAOASLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 EP disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 WO disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAOB 691/4885MAOA 738/4885SLC6A3 4784/4885
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B MAOB 1094/4885MAOA 911/4885SLC6A3 711/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 MAOB 4688/4885MAOA 4857/4885SLC6A3 4175/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAOB 1362/4885MAOA 1052/4885SLC6A3 4585/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 MAOB 1540/4885MAOA 2118/4885SLC6A3 2283/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 MAOB 4688/4885MAOA 4857/4885SLC6A3 4175/4885

“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.