SCHEMBL4385626

SCHEMBL4385626

Clc1nccc(NCCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.58
HTR7 P34969 3/20 0.56
APP P05067 1/20 0.50
MYLK Q15746 1/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GBA1 P04062 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL1666752 0.83 CYP1A2 (0.64) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4859059 0.81 CYP1A2 (0.64) APPALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL11306777 0.78 HTR7 (0.51) HTR7ALDH1A1CYP1A2CYP2C19
SCHEMBL4647318 0.78 HRH4 (0.48) ALDH1A1GBA1CYP1A2CYP3A4CYP2D6
SCHEMBL4372794 0.77 MYLK (0.60) ACHEHTR7MYLKCCNCCDK8
SCHEMBL8492272 0.77 APP (0.54) ACHEHTR7APPCCNCCDK8
SCHEMBL31240809 0.77 CCNC (0.58) ACHEHTR7APPMYLKCCNC
SCHEMBL4820080 0.77 CYP1A2 (0.57) APPALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL21003173 0.76 HRH4 (0.47) ALDH1A1GBA1CYP1A2CYP3A4CYP2D6
SCHEMBL3406133 0.76 NUDT1 (0.51) CDK8ALDH1A1KMT2ACYP2D6MAPK1

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
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-0001981-B1 9-(OMEGA-HETEROARYLAMINO-ALKYLAMINO)-ERYTHROMYCINS, THEIR SALTS, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1981-04-01 EP disclosed
US-4256738-A BACTERICIDES, PYRIMIDINYL, QUINAZOLINYL BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US 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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A ACHE 3720/4885HTR7 1/4885APP 2310/4885

“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.