SCHEMBL170083

SCHEMBL170083

CCOC(=O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
NLRP3 Q96P20 1/20 0.48
CHEK1 O14757 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL12598336 0.85 MAPT (0.58) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL8686875 0.84 MTNR1A (0.56) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL30011085 0.84 ALDH1A1 (0.53) HSD17B10MTNR1AMTNR1BKDM4ELMNA
SCHEMBL11186816 0.84 PAM (0.53) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3657832 0.83 MTNR1A (0.46) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL14435564 0.82 MTNR1A (0.45) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL27207807 0.82 LOXL2 (0.47) HSD17B10SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3935995 0.81 KDM4E (0.57) HSD17B10SMN1; SMN2PKMKDM4ELMNA
SCHEMBL6715596 0.81 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2KDM4ECHEK1MAPT
SCHEMBL28442036 0.81 PDGFRB (0.51) MTNR1AMTNR1BKDM4ENLRP3LOXL2

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP disclosed
CN-1418216-A Novel 2,3,4, 5-tetrahydro-1H- [1,4] diaza * o [1, 7-a ] indole compounds UPJOHN CO (US) 2003-05-14 CN disclosed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US disclosed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 WO disclosed
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 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 (6 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HSD17B10 1734/4885SMN1; SMN2 4738/4885MTNR1A 2125/4885
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HSD17B10 1041/4885SMN1; SMN2 3137/4885MTNR1A 46/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HSD17B10 1734/4885SMN1; SMN2 4738/4885MTNR1A 2125/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HSD17B10 1734/4885SMN1; SMN2 4738/4885MTNR1A 2125/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HSD17B10 1734/4885SMN1; SMN2 4738/4885MTNR1A 2125/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HSD17B10 1734/4885SMN1; SMN2 4738/4885MTNR1A 2125/4885

“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.