SCHEMBL6311330

SCHEMBL6311330

CCc1c(C2=CCNCC2)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
HTR2C P28335 7/20 0.43
HTR6 P50406 7/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HTR2A P28223 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
HSD17B10 Q99714 2/20 0.42
DRD2 P14416 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
FTO Q9C0B1 1/20 0.36
QDPR P09417 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL6310291 0.82 HTR6 (0.40) SIGMAR1HTR2CHTR6KDM4EALDH1A1
SCHEMBL6310625 0.82 HTR2C (0.49) SIGMAR1HTR2CHTR6KDM4EALDH1A1
SCHEMBL15450945 0.67 CYP1A2 (0.51) KDM4EALDH1A1MAPTHTR2AHTT
SCHEMBL4359561 0.67 HTR2C (0.54) SIGMAR1HTR2CHTR6KDM4EALDH1A1
SCHEMBL6313007 0.66 MEN1 (0.43) SIGMAR1HTR2CHSD17B10CYP1A2CYP2D6
SCHEMBL21862220 0.64 MIF (0.47) KDM4EALDH1A1MAPTHSD17B10CYP1A2
SCHEMBL4359750 0.64 SIGMAR1 (0.50) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL5760127 0.64 HTR2C (0.43) SIGMAR1HTR2CHTR6KDM4EALDH1A1
SCHEMBL14045624 0.64 CNR2 (0.46) KDM4EALDH1A1HTR2AHSD17B10CYP1A2
SCHEMBL9974662 0.63 HTR2C (0.59) SIGMAR1HTR2CHTR6QDPR

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-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-6784180-B2 INHIBITING THE REUPTAKE OF SEROTONIN AND ANTAGONIZING THE 5-HT1A RECEPTOR; AS ANTIDEPRESSANT OR TO POTENTIATE EFFECTS OF ANOTHER SSRI ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1250336-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2004-05-12 EP disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
US-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists ELI LILLY AND COMPANY 2003-12-04 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-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists HTR1A, HTR1D, HTR5A SIGMAR1 173/4885HTR2C 7/4885HTR6 11/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F SIGMAR1 789/4885HTR2C 52/4885HTR6 38/4885

“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.