SCHEMBL18751621

SCHEMBL18751621

C[C@H](c1ccccc1)N1CCCC[C@H]1c1cc(F)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ METAP2 P50579 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17130333 0.80 CHRNB2 (0.49) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL18729770 0.80 CHRNB2 (0.49) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL18751620 0.80 CHRNB2 (0.49) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL4102082 0.79 RIPK1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18751622 0.76 CYP2D6 (0.41) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL18768490 0.75 KDM4E (0.39) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL18751625 0.75 KDM4E (0.42) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL17114338 0.75 CYP2D6 (0.40) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL17114337 0.75 CYP2D6 (0.40) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL636743 0.75 MAOB (0.41) OPRM1OPRD1OPRK1OPRL1KDM4E

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
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 — — US disclosed
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 — — 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS OPRM1 181/4885OPRD1 264/4885OPRK1 436/4885

“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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