SCHEMBL5981997

SCHEMBL5981997

Cc1ccc(CCN)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.59
HTR2A P28223 6/20 0.47
HTR1D P28221 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.36
ADRA1A P35348 1/20 0.35

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
SCHEMBL12311975 0.83 TAAR1 (0.64) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL21032335 0.83 CYP1A2 (0.41) TAAR1HTR2ACYP1A2CYP2A6HTR2C
SCHEMBL4930876 0.83 HTR2A (0.43) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL10817318 0.82 AMY1A (0.42) TAAR1HTR2ACYP1A2CYP2A6HTR2C
Hydrochloric Acid SCHEMBL2795521 0.82 TAAR1 (0.62) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL16958419 0.81 L3MBTL1 (0.38) TAAR1HTR2ACYP1A2CYP2A6HTR2C
SCHEMBL29280309 0.79 TAAR1 (0.35) TAAR1HTR2ACYP1A2HTR2CHTR2B
SCHEMBL17429675 0.79 SMN1; SMN2 (0.37) TAAR1HTR2ACYP1A2HTR2CHTR2B
SCHEMBL855681 0.78 TAAR1 (0.69) TAAR1HTR2AHTR1DCYP1A2CYP2A6
SCHEMBL30251350 0.78 TAAR1 (0.69) TAAR1HTR2AHTR1DCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US claimed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 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-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS TAAR1 2664/4885HTR2A 2898/4885HTR1D 3500/4885

“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.