SCHEMBL4014318

SCHEMBL4014318

CC1=CC[CH]C(c2ccc(N3CCCC3)cc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 7/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 4/20 0.37
RECQL P46063 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4009238 0.98 ALDH1A1 (0.41) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4014527 0.97 TRIM24 (0.36) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4157195 0.88 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL4010661 0.78 MAPT (0.41) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4810247 0.77 ACHE (0.33) TDP1ACHE
SCHEMBL5907507 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5180094 0.73 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL4809916 0.73 MAPK1 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL7495427 0.71 TYR (0.34) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4145671 0.71 TDP1 (0.37) ALDH1A1SMN1; SMN2RECQLL3MBTL1ALOX15

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
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO 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 (3 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 TRIM24 2638/4885TRIM33 1902/4885ALDH1A1 1572/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 TRIM24 2318/4885TRIM33 3920/4885ALDH1A1 597/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R TRIM24 1595/4885TRIM33 3157/4885ALDH1A1 1501/4885

“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.