SCHEMBL16619385

SCHEMBL16619385

N#Cc1ccc(CC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 1/20 0.50
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GBA1 P04062 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 2/20 0.42
CCR3 P51677 2/20 0.41
TRPA1 O75762 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL12825295 0.92 LOXL2 (0.47) LOXL2CYP2A6KCNJ1KCNH2MAOA
SCHEMBL14367116 0.90 MAOA (0.49) LOXL2CYP2A6KCNJ1KCNH2MAOA
SCHEMBL3145121 0.88 GBA1 (0.61) LOXL2CYP2A6KCNH2GBA1
SCHEMBL16447507 0.87 NSD2 (0.44) LOXL2CYP2A6KCNJ1KCNH2MAOA
Hydrochloric Acid SCHEMBL4577505 0.87 GBA1 (0.59) LOXL2CYP2A6KCNH2GBA1
SCHEMBL18560103 0.86 HRH3 (0.47) LOXL2CYP2A6
Hydrochloric Acid SCHEMBL23410114 0.85 GBA1 (0.58) LOXL2CYP2A6KCNH2GBA1
SCHEMBL27741252 0.84 HRH3 (0.54) CYP2A6KCNJ1KCNH2MAOAMAOB
SCHEMBL11007488 0.83 CYP2A6 (0.44) LOXL2CYP2A6KCNJ1KCNH2MAOA
SCHEMBL11007494 0.83 CYP2A6 (0.44) LOXL2CYP2A6KCNJ1KCNH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 US disclosed
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO disclosed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 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 (2 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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 LOXL2 842/4885CYP2A6 2742/4885KCNJ1 531/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 LOXL2 842/4885CYP2A6 2742/4885KCNJ1 531/4885

“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.