SCHEMBL17785128

SCHEMBL17785128

COc1cc2c(CCBr)coc2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 10/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR1A P08908 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MTNR1B P49286 2/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL19611389 0.85 MTNR1A (0.40) MTNR1AHPGDLMNAKDM4ENPC1
SCHEMBL17785109 0.84 MTNR1A (0.56) MTNR1AHPGDKDM4EPOLBMAPK1
SCHEMBL19627159 0.80 ALOX15 (0.43) MTNR1AHPGDKDM4EPOLBSMN1; SMN2
SCHEMBL17785120 0.73 TSHR (0.47) HPGDLMNAKDM4ENPC1POLB
SCHEMBL6217970 0.73 MTNR1A (0.64) MTNR1ALMNAMTNR1BNQO2
SCHEMBL19627182 0.73 ALOX15 (0.56) MTNR1AHPGDKDM4EPOLBSMN1; SMN2
SCHEMBL6213614 0.70 HTR6 (0.45) MTNR1AKDM4EHTR1AMTNR1BNQO2
SCHEMBL19611333 0.69 MTNR1A (0.56) MTNR1AMAPK1MTNR1BNQO2
SCHEMBL1441804 0.68 PDE10A (0.43) NPC1SMN1; SMN2PDE10AMEN1KMT2A
SCHEMBL19627152 0.67 THRB (0.47) MTNR1APOLBMAPK1SMN1; SMN2HTR1A

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 12 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
EP-3224261-A1 OPIOID RECEPTOR MODULATORS The Trustees of Columbia University in the City of New York (US) 2017-10-04 — — EP disclosed
WO-2016086158-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-02 — — 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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 233/4885HPGD 2457/4885LMNA 3314/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 245/4885HPGD 1734/4885LMNA 3638/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885HPGD 2457/4885LMNA 3314/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 MTNR1A 233/4885HPGD 2457/4885LMNA 3314/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 MTNR1A 245/4885HPGD 1734/4885LMNA 3638/4885

“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.

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