SCHEMBL77996

SCHEMBL77996

Nc1ccc(N2CCCCC2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 2/20 0.43
F10 P00742 5/20 0.42
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
PDK2 Q15119 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 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
SCHEMBL5421060 0.98 BRD9 (0.46) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL3551615 0.95 ALDH1A1 (0.50) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL21515221 0.87 BRD9 (0.49) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL8267983 0.83 BRD9 (0.59) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL16178892 0.83 BRD9 (0.46) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6029717 0.82 ALDH1A1 (0.50) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL29710158 0.82 ALDH1A1 (0.50) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL16542450 0.81 ALDH1A1 (0.53) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL25669168 0.81 HPGD (0.46) BRD9ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL8312046 0.81 BRD9 (0.58) BRD9ALDH1A1HPGDCYP1A2CYP3A4

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US claimed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP claimed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (5 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 BRD9 3392/4885ALDH1A1 4342/4885HPGD 2709/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 BRD9 2880/4885ALDH1A1 2068/4885HPGD 1367/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX BRD9 2697/4885ALDH1A1 268/4885HPGD 84/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI BRD9 3013/4885ALDH1A1 2421/4885HPGD 1734/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 BRD9 3345/4885ALDH1A1 489/4885HPGD 616/4885

“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.