SCHEMBL3560864

SCHEMBL3560864

CN(Cc1ccccc1)C(=O)C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TACR1 P25103 4/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL4713610 0.98 POLB (0.60) POLBCHRNB2CHRNA4MEN1KMT2A
SCHEMBL5790489 0.89 POLB (0.69) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL24636855 0.86 POLB (0.66) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1570471 0.85 CHRNB2 (0.46) POLBCHRNB2CHRNA4MEN1KMT2A
SCHEMBL19750331 0.84 MEN1 (0.64) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL5889435 0.84 MEN1 (0.69) POLBMEN1KMT2AHTTKDM4E
SCHEMBL1571019 0.84 POLB (0.48) POLBCHRNB2CHRNA4MEN1KMT2A
SCHEMBL13450089 0.83 POLB (0.63) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL3154235 0.83 POLB (0.63) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL8791707 0.82 MEN1 (0.61) POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
CN-1280269-C Aliphatic nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-10-18 CN disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 POLB 4709/4885CHRNB2 74/4885CHRNA4 31/4885

“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.