SCHEMBL5196812

SCHEMBL5196812

C[C@H]1Nc2ccccc2CN(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.57
CREBBP Q92793 5/20 0.57
BRPF1 P55201 1/20 0.43
HTR5A P47898 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
EP300 Q09472 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
GHSR Q92847 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL5191751 1.00 BRD4 (0.57) BRD4CREBBPBRPF1HTR5ATSHR
SCHEMBL8398746 0.77 TAAR1 (0.44) ITGB3ITGAV
SCHEMBL8524947 0.75 BRD4 (0.48) BRD4CREBBPMAPTGAAITGB3
SCHEMBL8503077 0.75 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL4024521 0.75 ITGB3 (0.47) BRD4ITGB3ITGAV
SCHEMBL8584093 0.75 BRD4 (0.48) BRD4CREBBPMAPTGAAITGB3
SCHEMBL22861976 0.74 BRD4 (0.45) BRD4CREBBPTSHR
SCHEMBL677636 0.73 BRD4 (1.00) BRD4CREBBPMAPT
SCHEMBL6663800 0.72 MAPK1 (0.48) BRD4CREBBPMAPTGAAITGB3
SCHEMBL8526495 0.72 ITGB3 (0.49) BRD4CREBBPITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B BRD4 1592/4885CREBBP 2897/4885BRPF1 4136/4885

“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.