SCHEMBL6870754

SCHEMBL6870754

CCOC(=O)CC1(C#N)c2ccccc2C(C)(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PPID Q08752 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TSHR P16473 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL6865339 0.83 POLB (0.45) SMN1; SMN2PPIDALDH1A1GAAMAPT
SCHEMBL9198556 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PPIDALDH1A1GAAMAPT
SCHEMBL6867000 0.83 CCR1 (0.40) SMN1; SMN2PPIDGAAMAPTTDP1
SCHEMBL6867009 0.83 BCHE (0.43) SMN1; SMN2PPIDALDH1A1GAAMAPT
SCHEMBL11662107 0.74 SIGMAR1 (0.40) SMN1; SMN2PPIDGAA
SCHEMBL15075052 0.69 CCR1 (0.41) SMN1; SMN2ALDH1A1MAPTTDP1TSHR
SCHEMBL21027095 0.68 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1GAAMAPTTSHR
SCHEMBL12745105 0.67 KCNH2 (0.36) SMN1; SMN2ALDH1A1GAAMAPTTDP1
SCHEMBL24981178 0.67 ALDH1A1 (0.44) PPIDALDH1A1GAAMAPTTSHR
SCHEMBL17051306 0.67 APEX1 (0.47) PPIDALDH1A1GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806283-B2 SUCH AS SPIRO(9,10-DIHYDROANTHRACENE)-9,3'-PYRROLIDINE; FOR USE AS ANTIDEPRESSANT AND ANTIANXIETY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2004-10-19 US disclosed
US-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 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 (1 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-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof HTR2A, HTR7, HTR1A SMN1; SMN2 1356/4885PPID 839/4885ALDH1A1 1660/4885

“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.