SCHEMBL3518645

SCHEMBL3518645

CC(C)CNCc1ccc2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CXCR3 P49682 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
ACACB O00763 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
P2RX3 P56373 1/20 0.37
CLK1 P49759 1/20 0.36

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
SCHEMBL3519361 0.97 KDM4E (0.46) KDM4EALDH1A1TSHRRAB9AKDM1A
SCHEMBL3518923 0.89 KDM4E (0.46) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL3516500 0.86 KDM4E (0.46) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL13146611 0.84 RAB9A (0.44) KDM4EALDH1A1TSHRRAB9AKDM1A
SCHEMBL3518641 0.84 ALDH1A1 (0.59) KDM4EALDH1A1TSHRKDM1AMAOA
SCHEMBL13039056 0.84 ALDH1A1 (0.59) KDM4EALDH1A1TSHRKDM1AMAOA
SCHEMBL13039536 0.83 ALDH1A1 (0.58) KDM4EALDH1A1TSHRKDM1AMAOA
SCHEMBL18656440 0.81 RAB9A (0.46) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL5018926 0.81 CTNNB1 (0.43) RAB9ANPC1POLBCTNNB1WNT3A
SCHEMBL13995714 0.81 RAB9A (0.47) KDM4EALDH1A1TSHRRAB9AKDM1A

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
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 KDM4E 4734/4885ALDH1A1 4629/4885TSHR 442/4885

“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.