SCHEMBL4804592

SCHEMBL4804592

CCCNC1=CC[CH]C(c2ccc(C)cc2)=C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SSTR3 P32745 1/20 0.30

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
SCHEMBL9650411 0.68 ACHE (0.34)
SCHEMBL4806936 0.67 ACHE (0.35) NPC1RAB9A
SCHEMBL2492357 0.65 MAPT (0.67) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL4804521 0.62 LMNA (0.35) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL409332 0.62 MAPT (0.76) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL4809916 0.61 MAPK1 (0.38) KDM4ENPC1ALDH1A1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL2860788 0.61 MAPT (0.73) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL4013103 0.59 ALDH1A1 (0.41) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20209584 0.59 MAPT (0.55) KDM4ENPC1ALDH1A1RAB9AHSD17B10
SCHEMBL18866853 0.58 MAPT (0.53) KDM4EALDH1A1HSD17B10MAPTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO 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-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR KDM4E 3601/4885NPC1 1873/4885ALDH1A1 2402/4885

“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.