SCHEMBL14788205

SCHEMBL14788205

Cc1cn(C)c2c1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.33
LMNA P02545 7/20 0.33
HTT P42858 7/20 0.33
NPC1 O15118 6/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
SLC2A1 P11166 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PAX8 Q06710 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NTSR1 P30989 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL24701731 0.95 RAB9A (0.36) RAB9ALMNAHTTNPC1SMN1; SMN2
SCHEMBL19531765 0.79 ALDH1A1 (0.30) RAB9ALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL24701896 0.77 ALOX5 (0.32) RAB9ALMNAHTTSMN1; SMN2ALOX5
SCHEMBL20674610 0.76 CYP1A2 (0.35) KDM4EALDH1A1ALOX5PTGS1PTGS2
SCHEMBL23937907 0.74 ALOX5 (0.33) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL20674619 0.74 CA12 (0.36) LMNAKDM4EALDH1A1RXFP1HTR6
SCHEMBL19844861 0.74 POLB (0.32) RAB9ALMNAHTTSMN1; SMN2KDM4E
SCHEMBL20674613 0.73 CYP1A2 (0.31) RAB9ALMNAHTTSMN1; SMN2ALOX5
SCHEMBL23937908 0.73 ALOX5 (0.35) KDM4EALOX5PTGS1PTGS2CHRM2
SCHEMBL18164146 0.73 RXFP1 (0.39) RAB9ALMNAHTTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A RAB9A 456/4885LMNA 1367/4885HTT 3264/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 RAB9A 4381/4885LMNA 2049/4885HTT 1408/4885

“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.