SCHEMBL1000358

SCHEMBL1000358

CCOC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
FPR2 P25090 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL439856 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6256 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6257 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL7182 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6082774 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15977387 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15235893 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL14870924 0.87 MAPT (0.50) TSHRHTTMAPTPKMMAPK1
SCHEMBL15428491 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1
SCHEMBL433974 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329256-B2 (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2019-06-25 US disclosed
US-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2019-03-19 US disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE ORYZON GENOMICS SA (ES) 2018-05-10 US disclosed
US-9944601-B2 (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2018-04-17 US disclosed
US-9944601-B2 (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2018-04-17 US disclosed
US-20180079709-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2018-03-22 US disclosed
US-20180079709-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2018-03-22 US disclosed
EP-2403338-B1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME (US) 2017-07-26 EP disclosed
US-9708309-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use ORYZON GENOMICS, S.A. (ES) 2017-07-18 US disclosed
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
WO-2011094209-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS MERCK SHARP & DOHME CORP. (US) 2011-08-04 WO disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 US disclosed
US-20100216812-A1 Cyclopropyl Amide Derivatives ASTRAZENECA AB (SE) 2010-08-26 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 (8 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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 TSHR 4145/4885HTT 920/4885MAPT 1377/4885
US-10233178-B2 Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use KDM6A, KDM1B, KDM1A TSHR 4067/4885HTT 1051/4885MAPT 1531/4885
US-20180127406-A1 ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE KDM6A, KDM1B, KDM1A TSHR 4067/4885HTT 1051/4885MAPT 1531/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 TSHR 4219/4885HTT 1187/4885MAPT 1378/4885
US-20100216812-A1 Cyclopropyl Amide Derivatives HRH4, HRH2, HRH3 TSHR 291/4885HTT 1689/4885MAPT 1670/4885
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS FAAH, FAAH2, INMT TSHR 3663/4885HTT 1000/4885MAPT 794/4885
US-10329256-B2 (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors KDM1B, KDM1A, KDM2A TSHR 4274/4885HTT 233/4885MAPT 334/4885
US-20180079709-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A TSHR 4205/4885HTT 265/4885MAPT 383/4885

“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.