SCHEMBL6867009

SCHEMBL6867009

CCOC(=O)CC1(C#N)c2ccccc2Sc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 3/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
PPID Q08752 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 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
SCHEMBL6870754 0.83 SMN1; SMN2 (0.41) SMN1; SMN2GAAHSD17B10TSHRMAPT
SCHEMBL6867000 0.81 CCR1 (0.40) SMN1; SMN2GAAMAPTPPIDTDP1
SCHEMBL6865339 0.81 POLB (0.45) SMN1; SMN2GAAHSD17B10MAPTALDH1A1
SCHEMBL9198556 0.81 SMN1; SMN2 (0.40) SMN1; SMN2GAAMAPTALDH1A1PPID
SCHEMBL11662107 0.69 SIGMAR1 (0.40) SMN1; SMN2GAAPPID
SCHEMBL7674584 0.68 APP (0.52) BCHESMN1; SMN2GAATSHRMAPT
SCHEMBL15075052 0.67 CCR1 (0.41) SMN1; SMN2TSHRMAPTALDH1A1MEN1
SCHEMBL24981178 0.65 ALDH1A1 (0.44) GAATSHRMAPTALDH1A1MEN1
SCHEMBL17051306 0.65 APEX1 (0.47) GAATSHRMAPTALDH1A1MEN1
SCHEMBL11773416 0.64 KDM4E (0.44) SMN1; SMN2GAATSHRMAPTALDH1A1

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 BCHE 3946/4885SMN1; SMN2 1356/4885GAA 3861/4885

“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.