SCHEMBL9903807

SCHEMBL9903807

COc1ccc(CNCCN)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HTR2B P41595 2/20 0.50
HTR5A P47898 2/20 0.50
HTR6 P50406 2/20 0.50
BCDIN3D Q7Z5W3 2/20 0.49
HTR1B P28222 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL10437146 0.85 KDM4E (0.71) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL30657727 0.83 KDM4E (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL29103230 0.83 KDM4E (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL28646350 0.80 KDM4E (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL7263108 0.80 SIGMAR1 (0.71) POLBSIGMAR1MC4RMC5R
SCHEMBL11020360 0.79 KDM4E (0.72) KDM4EPOLBMEN1KMT2AMC4R
SCHEMBL6348746 0.79 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1
SCHEMBL5114399 0.79 SMN1; SMN2 (0.55) KDM4EPOLBMEN1KMT2AMC4R
SCHEMBL16848004 0.78 MEN1 (0.54) HTR1AHTR1DHTR2AHTR2CHTR7
SCHEMBL714973 0.78 KDM4E (0.70) KDM4EHTR2AHTR2CHTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC KDM4E 1252/4885POLB 213/4885HTR1A 4661/4885

“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.