SCHEMBL914458

SCHEMBL914458

O=C(NN1CCCCC1)c1cc2c(OCC3CCC3)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
KMT2A Q03164 3/20 0.46
SRD5A2 P31213 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL913772 0.83 KDM4E (0.44) KMT2A
SCHEMBL914073 0.82 KDM4E (0.46) KMT2ASRD5A2NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL916270 0.82 ALDH1A1 (0.46) KMT2ASRD5A2NPC1RAB9APOLB
SCHEMBL915206 0.81 SRD5A2 (0.62) KMT2ASRD5A2MTNR1AMTNR1BNPC1
SCHEMBL28762593 0.81 KMT2A (0.44) KMT2ASRD5A2NPC1RAB9APOLB
SCHEMBL916105 0.80 KDM4E (0.45) KMT2A
SCHEMBL24019696 0.80 KMT2A (0.54) KMT2ASRD5A2NPC1RAB9APOLB
SCHEMBL914457 0.80 SMYD3 (0.44) KMT2ASRD5A2MTNR1AMTNR1BNPC1
SCHEMBL913236 0.79 SRD5A2 (0.62) KMT2ASRD5A2MTNR1AMTNR1BNPC1
SCHEMBL914692 0.79 SRD5A2 (0.48) KMT2ASRD5A2NPC1RAB9APOLB

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
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CNR2 254/4885KMT2A 4109/4885SRD5A2 849/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 CNR2 249/4885KMT2A 4125/4885SRD5A2 869/4885

“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.