SCHEMBL4915316

SCHEMBL4915316

c1ccc(Nc2nc3ccccc3n2C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.49
IDH1 O75874 12/20 0.48
OGFRL1 Q5TC84 1/20 0.46

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
SCHEMBL20565860 0.86 HDAC3 (0.70) HDAC3HDAC1HDAC10HDAC6NPC1
SCHEMBL4917592 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC10HDAC6NPC1
SCHEMBL4920409 0.83 OPRM1 (0.45) HDAC3HDAC1HDAC10HDAC6TP53
SCHEMBL4910158 0.81 CYP1A2 (0.50) NPC1TP53RAB9ASMN1; SMN2OGFRL1
SCHEMBL4916973 0.79 OPRM1 (0.57) HDAC3HDAC1HDAC10HDAC6TP53
SCHEMBL4918061 0.79 NR4A2 (0.46) RAB9ASMN1; SMN2OGFRL1
SCHEMBL4918658 0.78 NR4A2 (0.45) HDAC3HDAC1HDAC10HDAC6TP53
SCHEMBL6161817 0.76 CYP11B2 (0.60) HDAC1HDAC6OGFRL1
SCHEMBL9876669 0.76 TP53 (0.46) TP53OGFRL1
SCHEMBL9685823 0.76 RPS6KB1 (0.47) TP53OGFRL1

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-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 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-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 HDAC3 608/4885HDAC1 2146/4885HDAC10 1139/4885

“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.