SCHEMBL6311513

SCHEMBL6311513

Cc1cc(F)ccc1C1C2=CN(C(=O)CN3CCCC3)CC2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TACR1 P25103 8/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
USP14 P54578 2/20 0.34
USP7 Q93009 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
USP5 P45974 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRL1 P41146 1/20 0.34
SLC6A1 P30531 2/20 0.33

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
SCHEMBL5746450 0.75 MEN1 (0.39) TACR1SIGMAR1
SCHEMBL5745280 0.73 TACR1 (0.37) TACR1OPRL1
SCHEMBL6311508 0.72 KDM4E (0.41) KDM4ETACR1POLBPKMUSP14
SCHEMBL6064290 0.69 TACR1 (0.54) TACR1
SCHEMBL6064294 0.69 TACR1 (0.54) TACR1
SCHEMBL6550098 0.68 TACR1 (0.53) TACR1
SCHEMBL6309911 0.68 TACR1 (0.41) KDM4ETACR1OPRL1SLC6A1
SCHEMBL6309919 0.68 TACR1 (0.41) KDM4ETACR1OPRL1SLC6A1
SCHEMBL5619397 0.67 TACR1 (0.39) TACR1POLBOPRL1
SCHEMBL6397911 0.67 TACR1 (0.41) KDM4ETACR1HPGDOPRL1SLC6A1

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 1833/4885TACR1 2/4885POLB 4702/4885

“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.