SCHEMBL4153655

SCHEMBL4153655

NCCc1cc(Br)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.47
HTR2A P28223 5/20 0.42
CYP2A6 P11509 2/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
CTSK P43235 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2A13 Q16696 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PMP22 Q01453 1/20 0.40
CHEK1 O14757 1/20 0.38
LTA4H P09960 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL8818260 0.80 CYP2A6 (0.43) HTR2ACYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL20563318 0.79 TAAR1 (0.50) TAAR1HTR2ACYP2A6MPOCYP1A2
SCHEMBL7247940 0.79 DHODH (0.49) TAAR1HTR2ACYP2A6MPOCYP1A2
SCHEMBL1229705 0.79 ACP1 (0.42) HTR2ACYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL4153146 0.78 TAAR1 (0.47) TAAR1HTR2ACYP2A6MPOCYP1A2
SCHEMBL11942308 0.77 ACP1 (0.41) HTR2ACYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL3860367 0.77 ACP1 (0.41) HTR2ACYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL5253278 0.77 CYP2A6 (0.40) HTR2ACYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL8054347 0.76 PRKCZ (0.41) TAAR1HTR2ACYP2A6MPOCYP1A2
SCHEMBL134400 0.74 CYP1A2 (0.54) TAAR1CYP1A2CYP2D6LTA4HPLA2G2A

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-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 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 (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-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 TAAR1 64/4885HTR2A 65/4885CYP2A6 502/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 TAAR1 64/4885HTR2A 65/4885CYP2A6 502/4885

“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.