SCHEMBL8090256

SCHEMBL8090256

COc1ccc(-c2ccncc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL6556017 0.93 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL8541427 0.92 TACR1 (0.85) TACR1
SCHEMBL6228061 0.90 TACR1 (0.83) TACR1
SCHEMBL6228929 0.90 TACR1 (0.83) TACR1
SCHEMBL6097438 0.89 TACR1 (0.85) TACR1
SCHEMBL6097434 0.89 TACR1 (0.85) TACR1
SCHEMBL15678900 0.89 TACR1 (0.86) TACR1
SCHEMBL6096308 0.89 TACR1 (0.86) TACR1
SCHEMBL6231318 0.89 TACR1 (0.81) TACR1
SCHEMBL6096313 0.89 TACR1 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 TACR1 190/4885

“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.