SCHEMBL2539593

SCHEMBL2539593

NCCc1c[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.68
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
HTR2C P28335 3/20 0.56
HTR1B P28222 8/20 0.54
HTR1A P08908 8/20 0.54
HTR1D P28221 7/20 0.54
TRPM8 Q7Z2W7 3/20 0.52
CYP1A2 P05177 2/20 0.52
NFKB1 P19838 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTR4 Q13639 1/20 0.52
PMP22 Q01453 2/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MPO P05164 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL31068463 1.00 HTR2A (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
Hydrochloric Acid SCHEMBL31534070 0.99 KMT2A (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL2534378 0.89 HTR1A (0.68) HTR2AKMT2AHTR2CHTR1BHTR1A
Hydrochloric Acid SCHEMBL21546053 0.87 NPSR1 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
Hydrochloric Acid SCHEMBL31181453 0.87 NPSR1 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL31068472 0.82 HTR6 (0.71) HTR2AKMT2AHTR2CHTR1BHTR1A
Oxalic Acid SCHEMBL2540213 0.82 CYP1A2 (0.68) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL379337 0.81 HTR2A (1.00) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL29874859 0.81 HTR2A (1.00) HTR2AKMT2AMEN1HTR2CHTR1B
SCHEMBL2537626 0.78 HTR2A (0.74) HTR2AKMT2AMEN1HTR2CHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396191-B1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2026-02-18 EP disclosed
US-12421232-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-09-23 US disclosed
EP-3768267-B1 BETA-CARBOLINE DERIVATIVES AS DYRK1A INHIBITORS FOR THE TREATMENT OF E.G. DIABETES ICAHN SCHOOL MED MOUNT SINAI (US) 2025-05-14 EP disclosed
US-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-04-24 US disclosed
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-04-25 US disclosed
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-01-09 US disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
EP-3768267-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-01-27 EP disclosed
CN-112135613-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2020-12-25 CN disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 WO disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (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-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, DYRK1A, CSNK1G3 HTR2A 1534/4885KMT2A 1230/4885MEN1 1252/4885
US-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING AHR, ARNT, AIPL1 HTR2A 655/4885KMT2A 1548/4885MEN1 4454/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B HTR2A 5/4885KMT2A 1269/4885MEN1 1889/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885KMT2A 1269/4885MEN1 1889/4885
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, CSNK1E, CSNK1G3 HTR2A 2071/4885KMT2A 1893/4885MEN1 1541/4885
US-12421232-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, DYRK1A, CSNK1G3 HTR2A 1534/4885KMT2A 1230/4885MEN1 1252/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 HTR2A 2071/4885KMT2A 1893/4885MEN1 1541/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885KMT2A 1269/4885MEN1 1889/4885

“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.