SCHEMBL6475993

SCHEMBL6475993

Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(CCO)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.45
AVPR1A P37288 4/20 0.38
NAMPT P43490 1/20 0.36
SLC6A7 Q99884 1/20 0.34
OXTR P30559 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL5783786 0.93 AVPR2 (0.42) AVPR2AVPR1ASLC6A7OXTRALDH1A1
SCHEMBL5784602 0.92 AVPR2 (0.49) AVPR2AVPR1AOXTR
SCHEMBL6475735 0.92 AVPR2 (0.43) AVPR2AVPR1ANAMPTALDH1A1
SCHEMBL5785035 0.92 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL6476635 0.92 AVPR2 (0.48) AVPR2AVPR1ANAMPTOXTRALDH1A1
SCHEMBL5787756 0.91 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL5782086 0.90 AVPR2 (0.46) AVPR2AVPR1ASLC6A7
SCHEMBL6486476 0.90 AVPR2 (0.41) AVPR2AVPR1ASLC6A7POLB
SCHEMBL6476757 0.90 AVPR2 (0.41) AVPR2AVPR1ASLC6A7POLB
SCHEMBL5785061 0.90 AVPR2 (0.41) AVPR2AVPR1AALDH1A1

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-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885AVPR1A 30/4885NAMPT 3471/4885

“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.