SCHEMBL6962267

SCHEMBL6962267

CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4C5CCC4CC(O)C5)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
KMT2A Q03164 1/20 0.40
PARP1 P09874 2/20 0.39
HTR4 Q13639 2/20 0.38
HTR7 P34969 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL914697 1.00 HTR1A (0.43) HTR1AKMT2APARP1HTR4HTR7
SCHEMBL914822 1.00 HTR1A (0.43) HTR1AKMT2APARP1HTR4HTR7
SCHEMBL914311 0.91 PARP1 (0.43) HTR1AKMT2APARP1HTR7KDM4E
SCHEMBL913976 0.88 KMT2A (0.44) HTR1AKMT2APARP1HTR7KDM4E
SCHEMBL914473 0.88 KMT2A (0.44) HTR1AKMT2APARP1HTR4HTR7
SCHEMBL914256 0.88 KMT2A (0.44) HTR1AKMT2APARP1HTR4HTR7
SCHEMBL914372 0.88 PARP1 (0.43) HTR1AKMT2APARP1HTR7KDM4E
SCHEMBL4401911 0.88 HTR1A (0.38) HTR1APARP1HTR4HTR7
SCHEMBL914543 0.87 KMT2A (0.40) HTR1AKMT2APARP1HTR4HTR7
SCHEMBL6958776 0.87 KMT2A (0.40) HTR1AKMT2APARP1HTR4HTR7

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 8 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-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-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
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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 (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 HTR1A 1607/4885KMT2A 4109/4885PARP1 2933/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR1A 1607/4885KMT2A 4125/4885PARP1 3011/4885

“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.