SCHEMBL12632547

SCHEMBL12632547

NC1CCN(C2CCNCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29307387 0.88 TRPC6 (0.36) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL4715480 0.86 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL1811563 0.84
SCHEMBL1813325 0.84
SCHEMBL1306991 0.84
SCHEMBL2675204 0.80 HPGD (0.34) KMT2AHPGDSMN1; SMN2
SCHEMBL2372206 0.80 HPGD (0.34) KMT2AHPGDSMN1; SMN2
SCHEMBL28109694 0.80 HPGD (0.38) KMT2AHPGDSMN1; SMN2
SCHEMBL2874112 0.79 DPP4 (0.44) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL2552594 0.79 KDM1A (0.41) KDM1AMAOAMAOBKMT2AMEN1

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-20160317545-A1 SUBSTITUTED ANILINES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2016-11-03 US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 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 (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-20160317545-A1 SUBSTITUTED ANILINES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 KDM1A 2643/4885MAOA 3509/4885MAOB 3056/4885

“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.