SCHEMBL4805089

SCHEMBL4805089

Cc1ccc(C2=CC(Cl)=CC[CH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
MDM2 Q00987 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4149059 0.84 CYP1A2 (0.34)
SCHEMBL6062513 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4007586 0.80 ALDH1A1 (0.38) TDP1KDM4EMAPTHPGDALOX15
SCHEMBL4810247 0.80 ACHE (0.33) TDP1ACHE
SCHEMBL9650411 0.77 ACHE (0.34) TDP1ACHE
SCHEMBL4806936 0.76 ACHE (0.35) RAB9AACHENPC1KMT2A
SCHEMBL4804521 0.70 LMNA (0.35) TDP1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL4809916 0.69 MAPK1 (0.38) TDP1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL8124086 0.69 KIF11 (0.37)
SCHEMBL5887196 0.69 HPGD (0.38) TDP1KDM4EMAPTL3MBTL1RAB9A

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
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
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
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 TDP1 2703/4885KDM4E 3706/4885MAPT 2577/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR TDP1 3967/4885KDM4E 3601/4885MAPT 4740/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 TDP1 4321/4885KDM4E 4599/4885MAPT 4782/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R TDP1 4296/4885KDM4E 3040/4885MAPT 4745/4885

“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.