SCHEMBL6173203

SCHEMBL6173203

Nc1ccc(C(=O)N2CCCC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55

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
SCHEMBL10726108 0.98 HPGD (0.61) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL607785 0.85 SMN1; SMN2 (0.70) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL29230264 0.85 SMN1; SMN2 (0.50) HPGDALDH1A1KDM4ESMN1; SMN2GABRP
SCHEMBL107791 0.85 GRM5 (0.56) HPGDKDM4EPOLBALOX15SMN1; SMN2
SCHEMBL31697636 0.85 SMN1; SMN2 (0.50) HPGDALDH1A1KDM4ESMN1; SMN2GABRP
SCHEMBL30116122 0.85 SMN1; SMN2 (0.70) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL13403401 0.85 SIGMAR1 (0.54) HPGDSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL29414456 0.85 GRM5 (0.56) HPGDKDM4EPOLBALOX15SMN1; SMN2
SCHEMBL23387889 0.84 GABRA5 (0.49) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL21245818 0.84 GRM5 (0.50) HPGDALDH1A1SMN1; SMN2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 HPGD 1756/4885ALDH1A1 1329/4885KDM4E 3737/4885

“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.