SCHEMBL18616064

SCHEMBL18616064

N[C@H]1CC[C@H](Oc2ccnc(-c3cccnc3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.45
▸ CYP1A2 P05177 7/20 0.42
▸ CYP3A4 P08684 6/20 0.42
▸ CYP2D6 P10635 5/20 0.42
▸ CLK4 Q9HAZ1 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C19 P33261 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39

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 SCHEMBL20357454 0.99 CYP2A6 (0.44) CYP2A6CYP1A2CYP3A4CYP2D6CLK4
Hydrochloric Acid SCHEMBL20357453 0.99 CYP2A6 (0.44) CYP2A6CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL18615769 0.85 RXFP1 (0.41) PIM1SYK
Hydrochloric Acid SCHEMBL20357435 0.84 RXFP1 (0.40) PIM1SYK
Hydrochloric Acid SCHEMBL20357438 0.84 RXFP1 (0.40) PIM1SYK
SCHEMBL20357415 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL18615439 0.78 HSP90AA1 (0.50) CYP2A6PIM1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL20357283 0.77 HSP90AA1 (0.49) CYP2A6PIM1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL20357284 0.77 HSP90AA1 (0.49) CYP2A6PIM1KDM1AMAOAMAOB
SCHEMBL18616063 0.75 CYP1A2 (0.46) CYP1A2CYP3A4LMNATDP1CYP2C19

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 CYP2A6 4637/4885CYP1A2 4745/4885CYP3A4 3512/4885

“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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