SCHEMBL3638162

SCHEMBL3638162

O=C(O)NCCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
GPR52 Q9Y2T5 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 2/20 0.44
RIPK1 Q13546 1/20 0.44
NLRP3 Q96P20 2/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL15321056 0.84 TAAR1 (0.43) TAAR1CA12CA1CA2CA9
SCHEMBL533866 0.84 MTNR1A (0.61) TAAR1KMT2AMTNR1AMTNR1BLMNA
SCHEMBL29686650 0.84 MTNR1A (0.61) TAAR1KMT2AMTNR1AMTNR1BLMNA
SCHEMBL6700589 0.81 MTNR1A (0.46) CA12CA2CA9KMT2AHIF1A
SCHEMBL2456852 0.81 KMT2A (0.58) CA12CA1CA2CA9KMT2A
SCHEMBL28710994 0.81 NLRP3 (0.61) TAAR1NLRP3POLBALDH1A1LMNA
SCHEMBL12851863 0.81 TAAR1 (0.56) TAAR1GPR52CA12CA1CA2
SCHEMBL30878491 0.81 TAAR1 (0.56) TAAR1CA12CA1CA2CA9
SCHEMBL33530786 0.81 TAAR1 (0.56) TAAR1CA12CA1CA2CA9
SCHEMBL33531701 0.80 TAAR1 (0.50) TAAR1GPR52CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
EP-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 US disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
CN-100347151-C Novel aminobenzophenones LEO PHARMA AS (DK) 2007-11-07 CN disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
EP-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP disclosed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US disclosed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 TAAR1 3513/4885GPR52 1678/4885CA12 4706/4885
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 TAAR1 1252/4885GPR52 2240/4885CA12 4012/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS TAAR1 4479/4885GPR52 629/4885CA12 3562/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 TAAR1 130/4885GPR52 103/4885CA12 1293/4885
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors IL1B, IL1A, TNF TAAR1 3169/4885GPR52 3405/4885CA12 4486/4885

“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.