SCHEMBL4806936

SCHEMBL4806936

COC1=CC[CH]C(c2ccc(C)cc2)=C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
RELA Q04206 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 3/20 0.32

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
SCHEMBL4807843 0.84 MEN1 (0.33) NPC1RAB9AKMT2AALOX5
SCHEMBL4804654 0.80 ACHE (0.39) ACHERELANPC1RAB9AKMT2A
SCHEMBL4810247 0.79 ACHE (0.33) ACHE
SCHEMBL9650411 0.76 ACHE (0.34) ACHE
SCHEMBL4805089 0.76 TDP1 (0.34) ACHENPC1RAB9AKMT2A
SCHEMBL5887546 0.73 DYRK1A (0.44) ACHE
SCHEMBL4801089 0.71 NOTUM (0.40) NPC1
SCHEMBL19446387 0.70 ACHE (0.37) ACHERELANPC1RAB9AKMT2A
SCHEMBL4804521 0.69 LMNA (0.35) NPC1RAB9A
SCHEMBL4809916 0.68 MAPK1 (0.38) NPC1RAB9AKMT2A

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US 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
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R ACHE 915/4885RELA 3346/4885NPC1 1831/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ACHE 4196/4885RELA 3376/4885NPC1 1873/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ACHE 4031/4885RELA 1656/4885NPC1 1514/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ACHE 3650/4885RELA 1745/4885NPC1 2930/4885

“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.