SCHEMBL9944963

SCHEMBL9944963

CCN1CCN(c2cc(NC)c(N)cc2C(=O)N[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CNR2 P34972 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CNR1 P21554 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
SCHEMBL9944913 0.88 RAB9A (0.43) KDM4EMAPTNPC1RAB9ACNR2
SCHEMBL9944932 0.87 RAB9A (0.40) KDM4EMAPTNPC1RAB9ACNR2
SCHEMBL9944826 0.86 RAB9A (0.41) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL9944950 0.85 RAB9A (0.40) KDM4EMAPTNPC1RAB9ACNR2
SCHEMBL9944987 0.85 ALDH1A1 (0.44) NPC1RAB9ACNR2TAS1R3TAS1R1
SCHEMBL9945029 0.85 NPC1 (0.40) KMT2AKDM4EMAPTNPC1RAB9A
SCHEMBL9944957 0.84 RAB9A (0.40) KDM4EMAPTNPC1RAB9ACNR2
SCHEMBL9944962 0.84 POLB (0.42) MEN1KMT2AKDM4EMAPT
SCHEMBL9944740 0.84 RAB9A (0.41) KDM4EMAPTNPC1RAB9ACNR2
SCHEMBL9944886 0.84 RAB9A (0.39) KDM4EMAPTNPC1RAB9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES HTR4 2648/4885MEN1 4598/4885KMT2A 3376/4885

“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.