SCHEMBL4800694

SCHEMBL4800694

Cc1ccc(C)c(C2=C(N(C)C)C=CC[CH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL197716 0.64 ALDH1A1 (0.52) S1PR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL10111145 0.60 ALDH1A1 (0.54) MEN1ALDH1A1KMT2A
SCHEMBL26968681 0.60 LMNA (0.54) S1PR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL2575727 0.59 ALDH1A1 (0.42) S1PR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL4807799 0.59 TDP1 (0.35) HPGD
SCHEMBL23560391 0.57 CHRNB2 (0.30)
SCHEMBL3185975 0.57 TDP1 (0.44) ALDH1A1HPGDKMT2ALMNATP53
SCHEMBL30445989 0.57 ESRRA (0.46) S1PR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL1046094 0.57 ESRRA (0.46) S1PR4MEN1ALDH1A1HPGDKMT2A
SCHEMBL20076409 0.57 LMNA (0.50) S1PR4MEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
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 S1PR4 2829/4885MEN1 2404/4885ALDH1A1 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.