SCHEMBL6087304

SCHEMBL6087304

CCn1cc([C@H]2CC[C@H](N(C)C)C2)c2cc(C#N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.62
HTR1A P08908 3/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR6 P50406 1/20 0.56
SLC6A3 Q01959 1/20 0.56
RORC P51449 1/20 0.41
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL6087846 1.00 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087259 1.00 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087263 1.00 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6088184 1.00 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087735 0.86 SLC6A4 (0.64) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087919 0.85 SLC6A4 (0.60) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6799821 0.81 SLC6A4 (0.76) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087254 0.79 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6635822 0.78 SLC6A4 (0.56) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6088870 0.78 SLC6A4 (0.62) SLC6A4HTR1ADRD1SLC6A2HTR1B

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-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 claimed
US-20040077705-A1 Cyclopentyl indole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US claimed
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 11/4885HTR1A 4/4885DRD1 77/4885

“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.