SCHEMBL18805136

SCHEMBL18805136

CCCn1ccnc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.41
BRD4 O60885 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 7/20 0.36
PLG P00747 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TLR8 Q9NR97 2/20 0.35
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKCG P05129 1/20 0.34

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 SCHEMBL18788541 0.98 PLAT (0.40) PLATBRD4KMT2AMEN1ALDH1A1
SCHEMBL18805137 0.88 CALCA (0.37) PLATBRD4KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL20522326 0.87 CALCA (0.37) PLATBRD4KMT2AMEN1ADORA2A
SCHEMBL19772545 0.84 JAK2 (0.40) BRD4KMT2AMEN1KCNH2PLG
SCHEMBL16247259 0.84 CCNE1 (0.39) PLATBRD4KMT2AMEN1KCNH2
SCHEMBL9894163 0.81 BRD4 (0.34) PLATBRD4KMT2AMEN1KCNH2
Hydrochloric Acid SCHEMBL16457105 0.80 MEN1 (0.35) PLATBRD4KMT2AMEN1KCNH2
SCHEMBL15942427 0.78 MEN1 (0.42) BRD4KMT2AMEN1HTR2CPLG
Hydrochloric Acid SCHEMBL3259989 0.77 MEN1 (0.45) BRD4KMT2AMEN1HTR2CPLG
Hydrochloric Acid SCHEMBL16992353 0.77 MEN1 (0.45) BRD4KMT2AMEN1HTR2CPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166226-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-01-01 US disclosed
US-20180153876-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-06-07 US disclosed
US-20180153876-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-06-07 US disclosed
US-9925178-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-9925178-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-20170239236-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-20170239236-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-9688660-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-27 US disclosed
US-9688660-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-27 US disclosed
US-20170121311-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
WO-2017072723-A1 CGRP RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-05-04 WO disclosed
US-20170121311-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 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 (4 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-20180153876-A1 CGRP Receptor Antagonists CALCRL, CNR1, GALR1 PLAT 2792/4885BRD4 1235/4885KMT2A 4508/4885
US-20170239236-A1 CGRP Receptor Antagonists CALCRL, CNR1, GALR1 PLAT 2792/4885BRD4 1235/4885KMT2A 4508/4885
US-20170121311-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CNR1, GALR1 PLAT 2792/4885BRD4 1235/4885KMT2A 4508/4885
US-10166226-B2 CGRP receptor antagonists CALCRL, CNR1, GALR1 PLAT 2792/4885BRD4 1235/4885KMT2A 4508/4885

“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.