SCHEMBL6894413

SCHEMBL6894413

O=C1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
CYP17A1 P05093 1/20 0.39
KMO O15229 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
Ethylene SCHEMBL7494422 0.97 OGA (0.42) OGACYP17A1KMOCYP2C19CYP1A2
SCHEMBL4877694 0.81 SMN1; SMN2 (0.46) OGAKMOCYP2C19CYP1A2ALOX15
SCHEMBL937322 0.81 SMN1; SMN2 (0.50) OGACYP2C19CYP1A2ALOX15SMN1; SMN2
SCHEMBL2570788 0.79 SMN1; SMN2 (0.53) OGACYP1A2SMN1; SMN2NPC1TSHR
SCHEMBL2272151 0.79 CYP17A1 (0.39) CYP17A1KMOCYP2C19CYP1A2SMN1; SMN2
SCHEMBL5122657 0.78 OGA (0.43) OGACYP17A1KMOCYP2C19CYP1A2
SCHEMBL206004 0.78 OGA (0.43) OGACYP17A1KMOCYP2C19CYP1A2
SCHEMBL4937062 0.76 BPTF (0.51) CYP2C19CYP1A2HRH4
SCHEMBL1774811 0.76 CYP1A2 (0.57) OGACYP2C19CYP1A2ALOX15TSHR
SCHEMBL2570384 0.76 CYP2C19 (0.58) OGAKMOCYP2C19CYP1A2P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 OGA 1367/4885CYP17A1 575/4885KMO 576/4885

“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.