SCHEMBL3596596

SCHEMBL3596596

N#Cc1ccc(-c2cc(COCC3(c4ccc(-c5ccco5)cc4)CCN(C(=O)O)CC3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.65

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
SCHEMBL3592895 0.91 TACR1 (0.73) TACR1
SCHEMBL13404335 0.91 TACR1 (0.61) TACR1
SCHEMBL3586430 0.89 TACR1 (0.79) TACR1
SCHEMBL3590554 0.88 TACR1 (0.69) TACR1
SCHEMBL3597458 0.88 TACR1 (0.68) TACR1
SCHEMBL3588670 0.86 TACR1 (0.71) TACR1
SCHEMBL3587151 0.86 TACR1 (0.71) TACR1
SCHEMBL3595058 0.86 TACR1 (0.68) TACR1
SCHEMBL3599228 0.85 TACR1 (0.65) TACR1
SCHEMBL3590476 0.85 TACR1 (0.69) TACR1

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-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 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 (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-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors SLC6A4, TPH1, SLC6A2 TACR1 19/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 TACR1 19/4885

“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.