SCHEMBL6311508

SCHEMBL6311508

Cc1cc(F)ccc1C1C2CN(C(=O)CN3CCCC3)CC2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
TACR1 P25103 7/20 0.36
OPRL1 P41146 1/20 0.36
GRIN2B Q13224 3/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
USP14 P54578 1/20 0.34
USP7 Q93009 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
SCHEMBL5746448 0.77 DRD2 (0.44) SIGMAR1GRIN2BPOLBALDH1A1
SCHEMBL5745277 0.73 TACR1 (0.39) TACR1
SCHEMBL6311513 0.72 KDM4E (0.41) KDM4ESIGMAR1TACR1OPRL1POLB
SCHEMBL6309919 0.72 TACR1 (0.41) KDM4ETACR1OPRL1
SCHEMBL6309911 0.72 TACR1 (0.41) KDM4ETACR1OPRL1
SCHEMBL6397911 0.71 TACR1 (0.41) KDM4ETACR1OPRL1ALDH1A1
SCHEMBL6394116 0.70 TACR1 (0.41) KDM4ETACR1OPRL1
SCHEMBL6311587 0.70 TACR1 (0.41) KDM4ETACR1OPRL1
SCHEMBL6311590 0.70 TACR1 (0.41) KDM4ETACR1OPRL1
SCHEMBL6064290 0.69 TACR1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1833/4885SIGMAR1 259/4885CHRM2 935/4885

“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.