SCHEMBL5772066

SCHEMBL5772066

Cc1cc(F)ccc1C1C2CNCC(C2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.38
CHRNA4 P43681 4/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL5745277 0.84 TACR1 (0.39) TACR1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL6311624 0.83 CHRNB2 (0.43) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5747642 0.77 HSD11B1 (0.44)
SCHEMBL5747262 0.75 CHRNB2 (0.49) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3320562 0.71 TACR1 (0.61) TACR1
SCHEMBL3315691 0.71 TACR1 (0.61) TACR1
SCHEMBL4024519 0.71 TACR1 (0.61) TACR1
SCHEMBL5411632 0.69 TACR1 (0.58) TACR1
SCHEMBL3315493 0.69 TACR1 (0.42) TACR1
SCHEMBL5746787 0.69 HTR2C (0.46)

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
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US claimed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 TACR1 2/4885CHRNA4 333/4885CHRNB2 311/4885

“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.