SCHEMBL18769885

SCHEMBL18769885

Cc1cccc2c(CC(C)NCCc3ccc(O)cc3)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.56
▸ SIGMAR1 Q99720 7/20 0.50
▸ ADRB2 P07550 7/20 0.49
▸ LMNA P02545 4/20 0.49
▸ SLC6A2 P23975 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ ADRB1 P08588 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ LCK P06239 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
SCHEMBL18769857 0.92 OPRK1 (0.56) OPRK1SIGMAR1ADRB2LMNASLC6A2
SCHEMBL18769856 0.86 SIGMAR1 (0.68) OPRK1SIGMAR1ADRB2LMNASLC6A2
SCHEMBL18769851 0.79 SIGMAR1 (0.46) OPRK1SIGMAR1ADRB2SLC6A2SLC6A4
SCHEMBL19505657 0.75 SIGMAR1 (0.83) OPRK1SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL19505613 0.75 SIGMAR1 (0.83) OPRK1SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL18769895 0.72 ADRB2 (0.58) OPRK1SIGMAR1ADRB2KDM4EMAPK1
SCHEMBL31734116 0.72 OPRK1 (1.00) OPRK1SIGMAR1ADRB2LMNASLC6A2
SCHEMBL18769831 0.71 ADRB2 (0.58) ADRB2SLC6A2SLC6A4OPRM1HIF1A
SCHEMBL18792143 0.70 ADRB2 (0.39) SIGMAR1ADRB2HIF1AMAPK1CYP2D6
SCHEMBL31734098 0.69 OPRK1 (0.68) OPRK1SIGMAR1ADRB2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 — — US claimed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 — — EP claimed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 — — WO claimed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 — — US disclosed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 — — US disclosed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 — — EP disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 — — WO disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 — — 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-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES BRCA1, VHL, TP53 OPRK1 3511/4885SIGMAR1 4450/4885ADRB2 4152/4885

“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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