SCHEMBL7086537

SCHEMBL7086537

CC(N)C1CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
HTR2C P28335 9/20 0.50
MAOA P21397 7/20 0.50
KDM1A O60341 6/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2B6 P20813 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 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
SCHEMBL7086540 1.00 MAOB (0.50) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL15254685 0.80 KDM1A (0.53) MAOBHTR2CMAOAKDM1ASLC6A2
SCHEMBL15254824 0.80 KDM1A (0.53) MAOBHTR2CMAOAKDM1ASLC6A2
SCHEMBL17781846 0.80 KDM1A (0.53) MAOBHTR2CMAOAKDM1ASLC6A2
SCHEMBL1786790 0.79 SMN1; SMN2 (0.46) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL1786791 0.79 SMN1; SMN2 (0.46) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL12611380 0.79 SMN1; SMN2 (0.46) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL12611241 0.79 SMN1; SMN2 (0.46) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL27991421 0.78 MAOB (0.52) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL9019856 0.76 HTR2C (0.57) HTR2CKDM1ALMNATAAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20030104945-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2003-06-05 US disclosed
WO-2002092580-A2 2,4-DIAMINO-1,3,5-TRIAZINES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-11-21 WO disclosed
US-5175183-A Antiinflammatory agents, respiratory system disorders ABBOTT LABORATORIES (US) 1992-12-29 US disclosed
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 MAOB 2180/4885HTR2C 1365/4885MAOA 2367/4885
US-20030104945-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators DDT, SAT1, DAZAP1 MAOB 953/4885HTR2C 351/4885MAOA 757/4885

“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.