SCHEMBL5489738

SCHEMBL5489738

O=C(N1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.71
F10 P00742 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 2/20 0.59
LMNA P02545 3/20 0.59
PKM P14618 5/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
CHRM1 P11229 2/20 0.57
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LSS P48449 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL6180621 0.89 F10 (0.76) ATMF10LMNACHRM1L3MBTL1
SCHEMBL6789035 0.87 ATM (0.64) ATMF10SMN1; SMN2GAALMNA
SCHEMBL1387222 0.86 TSHR (0.76) ATMF10SMN1; SMN2LMNAKMT2A
SCHEMBL1387210 0.86 F10 (0.82) ATMF10SMN1; SMN2GAALMNA
SCHEMBL15102072 0.85 CHRM1 (0.79) ATMF10LMNACHRM1USP2
SCHEMBL6798769 0.83 F10 (0.76) ATMF10SMN1; SMN2GAALMNA
SCHEMBL7549029 0.81 L3MBTL1 (0.67) F10SMN1; SMN2LMNACHRM1LSS
SCHEMBL5462593 0.81 PKM (0.67) SMN1; SMN2GAALMNAPKMMEN1
SCHEMBL7446074 0.81 LSS (0.73) F10SMN1; SMN2LMNAPKMCHRM1
SCHEMBL5244233 0.81 CHRM1 (0.67) F10SMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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 (2 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ATM 2574/4885F10 35/4885SMN1; SMN2 2956/4885
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 ATM 3674/4885F10 3992/4885SMN1; SMN2 4112/4885

“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.