SCHEMBL2183698

SCHEMBL2183698

CC(C(=O)O)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.44
AKR1C2 P52895 8/20 0.44
PTGS1 P23219 8/20 0.44
APP P05067 2/20 0.44
CHRM1 P11229 1/20 0.44
PTGS2 P35354 8/20 0.44
MAPT P10636 3/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL27780914 0.87 SMARCA2 (0.41) AKR1C3AKR1C2RECQL
SCHEMBL7962904 0.81 PTGS1 (0.50) AKR1C3AKR1C2PTGS1CHRM1PTGS2
SCHEMBL29272210 0.81 PTGS1 (0.47) PTGS1PTGS2HPGDPSEN1PSEN2
SCHEMBL23972495 0.80 LMNA (0.45) AKR1C3AKR1C2RECQLLMNAMAPK1
SCHEMBL13332664 0.79 GPR119 (0.44) AKR1C3AKR1C2MAPTSMN1; SMN2RECQL
SCHEMBL1979197 0.79 GPR119 (0.44) AKR1C3AKR1C2MAPTSMN1; SMN2RECQL
SCHEMBL24031007 0.79 PTGS2 (0.46) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL14943113 0.79 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1APPPTGS2
Hydrochloric Acid SCHEMBL6945545 0.77 GABRP (0.49) AKR1C3AKR1C2PTGS1PTGS2MAPT
SCHEMBL4330263 0.77 RECQL (0.44) AKR1C3AKR1C2RECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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 (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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP AKR1C3 3238/4885AKR1C2 3025/4885PTGS1 165/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 AKR1C3 4490/4885AKR1C2 4506/4885PTGS1 1721/4885

“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.