SCHEMBL6310291

SCHEMBL6310291

CN(C)CCCc1c(C2=CCNCC2)sc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.40
HTR2C P28335 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HTR2A P28223 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
RAD52 P43351 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
CYP2D6 P10635 5/20 0.37
HRH1 P35367 4/20 0.37
CHRM1 P11229 4/20 0.37
HSD17B10 Q99714 2/20 0.36
DRD2 P14416 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
FTO Q9C0B1 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
SCHEMBL6311330 0.82 SIGMAR1 (0.44) HTR6HTR2CALDH1A1HTR2AKDM4E
SCHEMBL6310625 0.78 HTR2C (0.49) HTR6HTR2CALDH1A1HTR2AKDM4E
SCHEMBL6309715 0.71 CYP2D6 (0.39) HTR6HTR2CALDH1A1HTR2AKDM4E
SCHEMBL11532274 0.67 HTR2A (0.50) HTR6HTR2CHTR2ACYP2D6HRH1
Hydrochloric Acid SCHEMBL11529408 0.66 HTR2A (0.49) HTR6HTR2CHTR2ACYP2D6HRH1
SCHEMBL11530208 0.62 CYP1A2 (0.48) HTR6MAPTRAD52CYP2D6CYP1A2
SCHEMBL4359561 0.61 HTR2C (0.54) HTR6HTR2CALDH1A1HTR2AKDM4E
Hydrochloric Acid SCHEMBL11529493 0.61 CYP1A2 (0.47) HTR6KDM4EMAPTRAD52GAA
SCHEMBL11392194 0.60 CYP2D6 (0.45) ALDH1A1HTR2AKDM4EMAPTHTT
SCHEMBL27792651 0.60 PTPN1 (0.46) ALDH1A1KDM4EMAPTHTTHSD17B10

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 4 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-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO 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-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F HTR6 38/4885HTR2C 52/4885ALDH1A1 90/4885

“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.