SCHEMBL4802963

SCHEMBL4802963

Cc1ccc(O)c2sccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 2/20 0.37
SLC6A2 P23975 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6127813 0.81 CYP1A2 (0.39) KMT2AHTTL3MBTL1TDP1NPC1
SCHEMBL11661739 0.81 IDO1 (0.39) TDP1MAPTTHRBALOX15CASP1
SCHEMBL911446 0.74 KDM4E (0.37) L3MBTL1NEK1ESR1
SCHEMBL31502533 0.74 ALOX15 (0.33) ALOX15NEK1
SCHEMBL288909 0.74 CYP1A2 (0.33) CYP1A2
SCHEMBL24819185 0.74 DYRK1A (0.36) TP53TDP1ALDH1A1THRBALOX15
SCHEMBL911335 0.74 DYRK1A (0.40) TDP1ALDH1A1LMNAMAPTHSD17B10
SCHEMBL17208936 0.74 CYP1A2 (0.33) KMT2AL3MBTL1HSD17B10CYP1A2
SCHEMBL21625566 0.74 CYP1A2 (0.33) KMT2AALDH1A1CYP1A2
SCHEMBL6230806 0.72 MEN1 (0.43) KMT2ATDP1MEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
EP-4310077-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF Medshine Discovery Inc. (CN) 2024-01-24 EP disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 US disclosed
US-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
US-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ELI LILLY AND COMPANY (US) 2006-01-19 US disclosed
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 EP disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
EP-1587781-A1 3-ARYLOXY/THIO-2,3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 US disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
WO-2004043903-A1 3-ARYLOXY/ THIO-2, 3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
EP-1397129-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094262-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-11-28 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 (4 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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 KMT2A 2842/4885OPRK1 74/4885HTT 536/4885
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF CYP3A43, CYP11B2, UGT2B7 KMT2A 2972/4885OPRK1 575/4885HTT 3276/4885
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 KMT2A 3867/4885OPRK1 27/4885HTT 1094/4885
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 KMT2A 2480/4885OPRK1 30/4885HTT 1488/4885

“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.