SCHEMBL1974847

SCHEMBL1974847

CC[C@H](N)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.50
OPRD1 P41143 10/20 0.50
OPRK1 P41145 10/20 0.50
OPRL1 P41146 10/20 0.50
PNMT P11086 1/20 0.48
GBA1 P04062 1/20 0.47
AOC3 Q16853 1/20 0.46
SLC6A4 P31645 1/20 0.41

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
SCHEMBL8037342 1.00 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL5101972 1.00 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1PNMT
Hydrochloric Acid SCHEMBL23527440 0.98 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
Hydrochloric Acid SCHEMBL4535082 0.98 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
Hydrochloric Acid SCHEMBL23527439 0.98 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL5712566 0.85 SLC6A4 (0.48) SLC6A4
SCHEMBL5652929 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL16692504 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL3489363 0.82 GBA1 (0.48) OPRM1OPRD1OPRK1OPRL1PNMT
SCHEMBL3446697 0.82 GBA1 (0.48) OPRM1OPRD1OPRK1OPRL1PNMT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420667-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-16 US claimed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP claimed
WO-2009130240-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-10-29 WO claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO claimed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2021-06-24 US disclosed
WO-2019156929-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2019-08-15 WO disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8420667-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-16 US disclosed
WO-2009130240-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-10-29 WO disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 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 (3 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 OPRM1 892/4885OPRD1 318/4885OPRK1 105/4885
US-20210188812-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 OPRM1 4711/4885OPRD1 4678/4885OPRK1 2832/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 OPRM1 4711/4885OPRD1 4678/4885OPRK1 2832/4885

“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.