SCHEMBL6313007

SCHEMBL6313007

CCc1c(C2CCNCC2)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 6/20 0.41
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR2C P28335 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FTO Q9C0B1 1/20 0.39
ADRB2 P07550 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
NMT1 P30419 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
SCHEMBL6309715 0.80 CYP2D6 (0.39) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL6311778 0.80 MEN1 (0.46) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL8591946 0.76 MEN1 (0.43) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL8819843 0.71 SLC9A1 (0.42) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL6312949 0.70 SIGMAR1 (0.38) SIGMAR1HTR2CCYP1A2CYP2D6TSHR
SCHEMBL15186614 0.68 CYP1A2 (0.38) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL15450945 0.68 CYP1A2 (0.51) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL14045624 0.68 CNR2 (0.46) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL15186846 0.67 CYP1A2 (0.34) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL15186636 0.67 CYP1A2 (0.34) MEN1KMT2ACYP1A2CYP2D6TSHR

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 MEN1 3722/4885KMT2A 2176/4885GABRA1 96/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F MEN1 4207/4885KMT2A 781/4885GABRA1 55/4885

“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.