SCHEMBL6312728

SCHEMBL6312728

CCN1CCN(CC2CCN(C(=O)O)C2c2ccc(F)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRL1 P41146 3/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.37
CNR1 P21554 2/20 0.37
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL5744911 1.00 TACR1 (0.40) TACR1DRD2DRD4L3MBTL1OPRL1
SCHEMBL6397078 0.91 OPRL1 (0.39) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6397081 0.91 OPRL1 (0.39) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6309911 0.91 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6394116 0.91 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6311587 0.91 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6309919 0.91 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6311590 0.91 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6397911 0.90 TACR1 (0.41) TACR1DRD2DRD4OPRL1KCNH2
SCHEMBL6318088 0.89 KCNH2 (0.41) TACR1DRD2DRD4OPRL1KCNH2

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 TACR1 2/4885DRD2 701/4885DRD4 1289/4885

“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.