SCHEMBL19611336

SCHEMBL19611336

COc1ccc2scc(CCBr)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.61
MTNR1B P49286 6/20 0.61
CYP2A6 P11509 2/20 0.41
BACE1 P56817 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL7340610 0.87 MTNR1A (0.57) MTNR1AMTNR1BCYP2A6BACE1MAPT
SCHEMBL17785108 0.84 MTNR1A (0.65) MTNR1AMTNR1BCYP2A6BACE1MAPT
SCHEMBL8586269 0.84 MTNR1A (0.61) MTNR1AMTNR1BCYP2A6MAPTHTR1A
SCHEMBL25030227 0.82 MTNR1A (0.70) MTNR1AMTNR1BHTR2AHTR6
SCHEMBL8021641 0.82 MTNR1A (0.59) MTNR1AMTNR1BCYP2A6BACE1MAPT
SCHEMBL25029849 0.82 MTNR1A (0.59) MTNR1AMTNR1BL3MBTL1HTR1ACYP2D6
SCHEMBL6151456 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP2A6BACE1MAPT
SCHEMBL25028222 0.80 MTNR1A (0.67) MTNR1AMTNR1BHTR2A
SCHEMBL19627157 0.79 CA2 (0.52) MTNR1AMTNR1BCYP2A6MAPT
SCHEMBL25028234 0.79 MTNR1A (0.65) MTNR1AMTNR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 EP disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 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 (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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885CYP2A6 627/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885CYP2A6 514/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885CYP2A6 627/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885MTNR1B 261/4885CYP2A6 627/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 245/4885MTNR1B 326/4885CYP2A6 514/4885

“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.