SCHEMBL6614701

SCHEMBL6614701

N#Cc1ccc2c(c1)c(C1CC1)cn2CNCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.44
SMO Q99835 1/20 0.43
HTR1A P08908 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
CDKN1A P38936 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
NAMPT P43490 1/20 0.39
DPP4 P27487 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL6616744 0.79 CDK2 (0.48) SLC6A4HTR1A
SCHEMBL6636440 0.77 SMO (0.54) SLC6A4SMOHTR1APTGDR2DRD2
SCHEMBL6087666 0.72 SLC6A4 (0.65) SLC6A4HTR1ACCNCCDK8CDKN1A
SCHEMBL6615754 0.71 HTR1A (0.45) SLC6A4SMOHTR1APTGDR2
SCHEMBL7972314 0.70 SLC6A4 (0.44) SLC6A4SMOHTR1APTGDR2
SCHEMBL6087735 0.69 SLC6A4 (0.64) SLC6A4SMOHTR1APTGDR2
SCHEMBL6635822 0.69 SLC6A4 (0.56) SLC6A4SMOHTR1APTGDR2
SCHEMBL6616386 0.68 SLC6A4 (0.43) SLC6A4HTR1APTGDR2
SCHEMBL6637096 0.68 HTR1A (0.53) SLC6A4HTR1APTGDR2DRD2DRD3
SCHEMBL6087915 0.67 SLC6A4 (0.67) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C SLC6A4 10/4885SMO 4118/4885HTR1A 2/4885

“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.