SCHEMBL3198507

SCHEMBL3198507

Cc1cccc(N2CCN(CCCC(N)=O)CC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTR2A P28223 5/20 0.57
HTR2C P28335 5/20 0.57
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
DRD2 P14416 3/20 0.54
DRD3 P35462 2/20 0.54
ADRA1A P35348 1/20 0.54
MAPT P10636 2/20 0.54
HTR1A P08908 1/20 0.54
DRD4 P21917 1/20 0.53
SLC6A4 P31645 3/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL5009458 0.89 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL3200095 0.89 ADRA1B (0.56) ALDH1A1MEN1KMT2AHPGDDRD2
SCHEMBL2113444 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL4249377 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL3198516 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL12099351 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL3436467 0.82 OPRM1 (0.55) ALDH1A1MEN1KMT2AHPGDDRD2
SCHEMBL29785718 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL10559204 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL4245536 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 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 (2 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 ALDH1A1 1554/4885MEN1 2308/4885KMT2A 1905/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 ALDH1A1 1390/4885MEN1 4547/4885KMT2A 1667/4885

“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.