SCHEMBL5678366

SCHEMBL5678366

CC1Cc2ccc(O)cc2CN1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.64
ADRA2A P08913 3/20 0.64
ADRA2B P18089 3/20 0.64
ADRA2C P18825 3/20 0.64
OPRK1 P41145 3/20 0.43
MRGPRX2 Q96LB1 2/20 0.43
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
SIGMAR1 Q99720 2/20 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
SCHEMBL12168266 1.00 PNMT (0.64) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL30211155 0.93 PNMT (0.54) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL19453935 0.93 PNMT (0.54) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL4014450 0.93 PNMT (0.54) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL29051837 0.84 OPRK1 (0.50) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL6211308 0.82 DRD2 (0.49) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL29051781 0.81 DRD2 (0.46) PNMTADRA2AADRA2BADRA2COPRK1
SCHEMBL11455524 0.80 DRD2 (0.50) OPRK1OPRM1OPRD1SIGMAR1
SCHEMBL20909872 0.79 PNMT (0.66) PNMTADRA2AADRA2BADRA2C
Bromide SCHEMBL11463856 0.79 DRD2 (0.49) OPRK1OPRM1OPRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 EP disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
US-20040167119-A1 2-(aminomethyl) arylamide analgesics PHARMACOPEIA, INC (US) 2004-08-26 US disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 WO disclosed
WO-2004071445-A2 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-26 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 (2 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 PNMT 2138/4885ADRA2A 1466/4885ADRA2B 2884/4885
US-20040167119-A1 2-(aminomethyl) arylamide analgesics OPRL1, OPRM1, OPRK1 PNMT 25/4885ADRA2A 26/4885ADRA2B 189/4885

“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.