SCHEMBL6087602

SCHEMBL6087602

N#Cc1ccc2[nH]cc([C@H]3CCC(=O)C3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.60
IDO1 P14902 1/20 0.59
SLC6A2 P23975 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HTR1A P08908 1/20 0.57
DRD1 P21728 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR6 P50406 1/20 0.57

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
SCHEMBL3889321 1.00 SLC6A4 (0.60) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL6086690 1.00 SLC6A4 (0.60) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL5792377 0.92 SLC6A4 (0.63) SLC6A4IDO1SLC6A2SLC6A3HTR1A
Ethylene SCHEMBL7484426 0.90 SLC6A4 (0.60) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL6637435 0.82 IDO1 (0.58) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL6088540 0.80 IKBKB (0.44) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL6088026 0.80 IDO1 (0.56) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL3886137 0.80 IDO1 (0.56) SLC6A4IDO1SLC6A2SLC6A3HTR1A
SCHEMBL6087784 0.80 IDO1 (0.56) SLC6A4IDO1HTR1AHTR1BHTR2A
SCHEMBL6090803 0.80 IDO1 (0.56) SLC6A4IDO1SLC6A2SLC6A3HTR1A

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-7049314-B2 Sexual disorders; antidepressants; attention deficit hyperactivity, obsessive-compulsive, and/or post-traumatic stress disorder; drug abuse and addiction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 US disclosed
US-20040077705-A1 Cyclopentyl indole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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-20040077705-A1 Cyclopentyl indole derivatives HTR5A, TPH1, TPH2 SLC6A4 11/4885IDO1 25/4885SLC6A2 40/4885

“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.