SCHEMBL29936956

SCHEMBL29936956

CN(C)c1ccc(-c2noc(-c3ccc(N)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.57
▸ RAB9A P51151 10/20 0.57
▸ MAPT P10636 5/20 0.57
▸ TP53 P04637 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ACHE P22303 2/20 0.56
▸ BCHE P06276 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49

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
SCHEMBL13417025 0.84 NPC1 (0.69) NPC1RAB9AMAPTTP53MEN1
SCHEMBL27001819 0.81 NPC1 (0.72) NPC1RAB9AMAPTTP53MEN1
SCHEMBL29147530 0.81 NPC1 (0.72) NPC1RAB9AMAPTTP53MEN1
SCHEMBL12171461 0.80 NPC1 (0.57) NPC1RAB9AMAPTTP53MEN1
SCHEMBL16592554 0.80 NR1H4 (0.78) NPC1RAB9AMAPTTP53MEN1
SCHEMBL29936924 0.80 NR1H4 (0.71) NPC1RAB9AMAPTTP53MEN1
SCHEMBL11323465 0.80 NR1H4 (0.78) NPC1RAB9AMAPTTP53MEN1
SCHEMBL1423028 0.79 NPC1 (0.56) NPC1RAB9AMAPTTP53MEN1
SCHEMBL16592595 0.78 ACHE (0.57) NPC1RAB9AMAPTTP53MEN1
SCHEMBL19244915 0.78 ACHE (0.57) NPC1RAB9AMAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE 2024-06-27 — — US disclosed
EP-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 — — EP disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 — — 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 (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-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RXFP3, RXFP1, RXFP4 NPC1 4471/4885RAB9A 2005/4885MAPT 3864/4885

“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.

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