SCHEMBL17188024

SCHEMBL17188024

N#Cc1cccc(N2CCC(NC(=O)O)C2)c1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
MTNR1A P48039 16/20 0.44
MTNR1B P49286 16/20 0.44
ACKR3 P25106 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL25267978 1.00 NOTUM (0.45) NOTUMMTNR1AMTNR1BACKR3USP30
SCHEMBL30464347 0.84 PIM1 (0.52)
SCHEMBL25674484 0.84 PIM1 (0.52)
SCHEMBL18840246 0.83 ROCK2 (0.45) NOTUMMTNR1AMTNR1B
SCHEMBL31042527 0.81 DRD4 (0.51) USP30
SCHEMBL17188175 0.79 ACKR3 (0.48) ACKR3USP30
SCHEMBL20140934 0.78 ALDH1A1 (0.48)
SCHEMBL20141122 0.78 GRM1 (0.48)
SCHEMBL25273486 0.76 USP30 (0.51) NOTUMUSP30
SCHEMBL25273485 0.76 USP30 (0.51) NOTUMUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 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 (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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI NOTUM 1032/4885MTNR1A 4637/4885MTNR1B 4676/4885
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 NOTUM 3748/4885MTNR1A 2937/4885MTNR1B 3118/4885

“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.