SCHEMBL16268751

SCHEMBL16268751

CN(C)CCNCc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
TAAR1 Q96RJ0 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.55
SCN8A Q9UQD0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MPO P05164 1/20 0.46
MITF O75030 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL10054980 0.90 SIGMAR1 (0.50) CHRM2
SCHEMBL25570588 0.89 CHRM2 (0.65) CHRM2TAAR1L3MBTL1LMNASCN8A
SCHEMBL4413484 0.84 CHRM2 (0.62) CHRM2L3MBTL1LMNASCN8AKDM4E
SCHEMBL13102974 0.82 CHRM2 (0.60) CHRM2LMNACA12CA1CA2
SCHEMBL18434706 0.81 CYP2C9 (0.63) CHRM2
SCHEMBL3879539 0.81 CHEK1 (0.48) CHRM2L3MBTL1SCN8AKDM4EALDH1A1
SCHEMBL10535689 0.81 CHRM2 (0.58) CHRM2LMNAKDM4EALDH1A1NPSR1
SCHEMBL3037243 0.81 TAAR1 (0.57) TAAR1LMNACA12CA1CA2
SCHEMBL30119829 0.81 KEAP1 (0.49) CHRM2
SCHEMBL18434292 0.81 CARM1 (0.48) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 US disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 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 (3 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CHRM2 270/4885TAAR1 253/4885L3MBTL1 3444/4885
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 CHRM2 775/4885TAAR1 1197/4885L3MBTL1 4429/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 CHRM2 775/4885TAAR1 1197/4885L3MBTL1 4429/4885

“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.