SCHEMBL17403045

SCHEMBL17403045

C[C@H]1CC1c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.60
MAOB P27338 5/20 0.60
KCNH2 Q12809 2/20 0.60
RCOR1 Q9UKL0 2/20 0.60
KDM1B Q8NB78 1/20 0.60
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAOA P21397 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2A6 P11509 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
SCHEMBL12875752 1.00 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL883113 0.81 KDM1A (0.68) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12295868 0.81 KDM1A (0.68) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL3673574 0.77 HTR2A (0.52) KDM1AHTR2CHTR2BCYP2C9CYP3A4
SCHEMBL12714992 0.77 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL24658830 0.77 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
Bicarbonate SCHEMBL11486402 0.76 KDM1A (0.46) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12808654 0.75 MEN1 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL14101959 0.75 KDM1A (0.60) KDM1AHTR2CHTR2B
SCHEMBL21503486 0.75 KDM1A (0.60) KDM1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738595-B2 Carboxamide compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-08-22 US disclosed
US-20160002149-A1 NOVEL CARBOXAMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-07 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 (1 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-20160002149-A1 NOVEL CARBOXAMIDE COMPOUNDS FAAH, CNR1, CNR2 KDM1A 150/4885MAOB 2143/4885KCNH2 1985/4885

“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.