SCHEMBL7580646

SCHEMBL7580646

CN1C(=O)C2CCCN2C(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.50
▸ GABRA1 P14867 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL14288831 0.96 POLB (0.58) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL11860611 0.82 KMT2A (0.45) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL11866150 0.81 ALDH1A1 (0.42) POLBALDH1A1KDM4EMAPTGAA
SCHEMBL11856807 0.81 OPRK1 (0.42) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL11873109 0.81 GABRG2 (0.51) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL11782432 0.81 DDB1 (0.40) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL12715433 0.79 SMN1; SMN2 (0.45) POLBALDH1A1KDM4EMAPTGAA
SCHEMBL14282594 0.79 POLB (0.71) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL14265194 0.79 POLB (0.71) POLBALDH1A1GABRA1GABRG2GABRB3
SCHEMBL12714525 0.78 TMEM97 (0.43) POLBALDH1A1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3985732-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1976-10-12 — — US claimed
US-3968230-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1976-07-06 — — US claimed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 — — US disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 — — US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 — — US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 — — US disclosed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 — — US disclosed
US-3985732-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1976-10-12 — — US disclosed
US-3985732-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1976-10-12 — — US disclosed
US-3985732-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1976-10-12 — — US disclosed
US-3968230-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1976-07-06 — — US disclosed
US-3968230-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1976-07-06 — — US disclosed
US-3947408-A ANTIANXIETY AGENTS AMERICAN CYANAMID COMPANY (US) 1976-03-30 — — 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 (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-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 POLB 2501/4885ALDH1A1 2890/4885GABRA1 436/4885

“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.

Send feedback