SCHEMBL1384496

SCHEMBL1384496

[CH2]N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.65
HTR2A P28223 2/20 0.65
HTR7 P34969 2/20 0.65
HTR6 P50406 2/20 0.65
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA9 Q16790 1/20 0.63
HTR3E A5X5Y0 2/20 0.62
HTR3B O95264 2/20 0.62
HTR3A P46098 2/20 0.62
HTR3D Q70Z44 2/20 0.62
HTR3C Q8WXA8 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
ADRB1 P08588 1/20 0.62

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
SCHEMBL11100857 0.90 ALDH1A1 (0.75) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL6714846 0.90 ALDH1A1 (0.75) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL9646111 0.84 ALDH1A1 (0.73) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL27875601 0.82 HTR1A (0.71) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL29595602 0.82 HTR3E (0.69) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL30407444 0.82 HTR3E (0.69) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL26770369 0.82 HTR3E (0.69) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL1822683 0.82 HTR3E (0.69) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL11210900 0.81 ALDH1A1 (0.69) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL1384498 0.81 KCNH2 (0.65) HTR1AHTR2AHTR7HTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1832928-B 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-07-04 CN claimed
JP-4838121-B2 2011-12-14 JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
JP-2007521278-A 2007-08-02 JP claimed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
CN-1153763-C Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives 日本化药株式会社 2004-06-16 CN disclosed
CN-1261347-A Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KK (JP) 2000-07-26 CN disclosed
US-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP 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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 HTR1A 2661/4885HTR2A 2938/4885HTR7 1962/4885

“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.