SCHEMBL18615769

SCHEMBL18615769

N[C@H]1CC[C@H](Oc2ccnc(-c3ccncc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PIM1 P11309 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32

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 SCHEMBL20357435 0.99 RXFP1 (0.40) RXFP1L3MBTL1NPC1ROCK2ROCK1
Hydrochloric Acid SCHEMBL20357438 0.99 RXFP1 (0.40) RXFP1L3MBTL1NPC1ROCK2ROCK1
SCHEMBL18616064 0.85 CYP2A6 (0.45) SYKPIM1
Hydrochloric Acid SCHEMBL20357454 0.84 CYP2A6 (0.44) SYKPIM1
Hydrochloric Acid SCHEMBL20357453 0.84 CYP2A6 (0.44) SYKPIM1
SCHEMBL20357206 0.78 L3MBTL1 (0.46) RXFP1L3MBTL1
SCHEMBL18615588 0.77 LOX (0.38) ROCK1ALOX5APFEN1LOXLOXL2
Hydrochloric Acid SCHEMBL20357423 0.76 LOX (0.37) ROCK1ALOX5APFEN1LOXLOXL2
Hydrochloric Acid SCHEMBL20357422 0.76 LOX (0.37) ROCK1ALOX5APFEN1LOXLOXL2
SCHEMBL20357292 0.75 TRPC3 (0.38) ALOX5APFEN1LOXLOXL2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 RXFP1 12/4885L3MBTL1 1009/4885NPC1 3545/4885

“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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