SCHEMBL18751625

SCHEMBL18751625

C[C@H](c1ccccc1)N1CCCC[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ EGFR P00533 6/20 0.40
▸ ERBB2 P04626 6/20 0.40
▸ ERBB3 P21860 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL18729770 0.84 CHRNB2 (0.49) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL18751620 0.84 CHRNB2 (0.49) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL17130333 0.84 CHRNB2 (0.49) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL18751622 0.82 CYP2D6 (0.41) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL17130329 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL17114338 0.81 CYP2D6 (0.40) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL17114337 0.81 CYP2D6 (0.40) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL18768490 0.79 KDM4E (0.39) KDM4EOPRM1OPRD1OPRK1OPRL1
SCHEMBL17114334 0.78 HSD11B1 (0.42) KDM4EOPRD1CYP2D6
SCHEMBL17114339 0.78 NR1H2 (0.48) KDM4EOPRD1OPRK1

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 KDM4E 1105/4885DRD4 17/4885EGFR 2132/4885

“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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