SCHEMBL10153134

SCHEMBL10153134

O=C1NCCNC1Cc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
PLG P00747 1/20 0.44
GHSR Q92847 1/20 0.42
MLNR O43193 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
NPC1 O15118 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
DAO P14920 1/20 0.38
HTR2A P28223 1/20 0.38
USP2 O75604 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
SCHEMBL8534086 0.82 CYP2C19 (0.48) GLAGHSRMLNRSMN1; SMN2
SCHEMBL13192544 0.82 TAAR1 (0.40) PLGNPC1ALDH1A1HTR2ASMN1; SMN2
SCHEMBL9437531 0.81 GLA (0.58) GLAGHSRHDAC8ALDH1A1
SCHEMBL9437533 0.81 GLA (0.58) GLAGHSRHDAC8ALDH1A1
SCHEMBL6936657 0.81 GLA (0.58) GLAGHSRHDAC8ALDH1A1
SCHEMBL7647043 0.77 MLNR (0.46) GLAGHSRMLNRKMT2AMEN1
SCHEMBL20543812 0.74 P2RX7 (0.40) KMT2AMEN1ALDH1A1LMNA
SCHEMBL20543867 0.74 P2RX7 (0.40) KMT2AMEN1ALDH1A1LMNA
SCHEMBL20543868 0.74 P2RX7 (0.40) KMT2AMEN1ALDH1A1LMNA
SCHEMBL20543815 0.74 P2RX7 (0.40) KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 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 (2 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 GLA 1451/4885PLG 970/4885GHSR 218/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL GLA 1597/4885PLG 995/4885GHSR 239/4885

“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.