SCHEMBL3882991

SCHEMBL3882991

COc1cc2c(c(OC)c1)CNCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
HTR2C P28335 4/20 0.45
HTR2A P28223 3/20 0.45
HTR2B P41595 3/20 0.45
HTR6 P50406 1/20 0.42
DRD1 P21728 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR7 P34969 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40

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
Hydrochloric Acid SCHEMBL22027739 0.98 PNMT (0.47) PNMTHTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL16040114 0.85 ADRA2A (0.42) PNMTHTR2CHTR2AHTR2BHTR6
SCHEMBL17462466 0.83 PNMT (0.42) PNMTHTR2CHTR2AHTR2BHTR6
SCHEMBL2427972 0.83 HTR2C (0.49) PNMTHTR2CHTR2AHTR2BADRA2A
SCHEMBL15502998 0.83 PNMT (0.42) PNMTHTR2CHTR2AHTR2BADRA2A
SCHEMBL19711562 0.81 PNMT (0.41) PNMTHTR2CHTR2AHTR2BADRA2A
Hydrochloric Acid SCHEMBL31013925 0.81 HTR2C (0.47) PNMTHTR2CHTR2AHTR2BADRA2A
SCHEMBL22858683 0.81 HTR2C (0.51) PNMTHTR2CHTR2AHTR2B
SCHEMBL19667672 0.81 PNMT (0.47) PNMTHTR2CHTR2AHTR2BHTR6
SCHEMBL29608060 0.81 HTR2C (0.51) PNMTHTR2CHTR2AHTR2B

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
EP-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-29 US disclosed
US-20200181125-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-11 US disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 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 (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-20200181125-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS CD74, HLA-DRB1, ICOS PNMT 118/4885HTR2C 2424/4885HTR2A 3355/4885
US-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 PNMT 664/4885HTR2C 506/4885HTR2A 682/4885
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators CD74, HLA-DRB1, ICOS PNMT 118/4885HTR2C 2424/4885HTR2A 3355/4885

“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.