SCHEMBL4287048

SCHEMBL4287048

N[C@H](c1cc(F)cc(F)c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRD1 P41143 6/20 0.46
OPRK1 P41145 6/20 0.46
OPRL1 P41146 6/20 0.46
EPHX1 P07099 1/20 0.36
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RPS6KB1 P23443 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL26931459 1.00 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL26931536 1.00 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL3349819 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL29155289 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL29155234 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL2676517 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL2675785 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL27689132 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1RPS6KB1
SCHEMBL378910 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1IDO1
Hydrochloric Acid SCHEMBL4879041 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US claimed
EP-2313391-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-12-26 EP claimed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415356-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
EP-2313391-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-12-26 EP disclosed
EP-2313391-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-12-26 EP disclosed
US-20110130407-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-02 US disclosed
US-20110130407-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-02 US disclosed
WO-2009156339-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-12-30 WO disclosed
WO-2009156339-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-12-30 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 (5 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-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA OPRM1 2376/4885OPRD1 1113/4885OPRK1 985/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA OPRM1 2320/4885OPRD1 1236/4885OPRK1 964/4885
US-20110130407-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 OPRM1 572/4885OPRD1 243/4885OPRK1 76/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA OPRM1 2376/4885OPRD1 1113/4885OPRK1 985/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA OPRM1 2376/4885OPRD1 1113/4885OPRK1 985/4885

“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.