SCHEMBL18503575

SCHEMBL18503575

CNCCc1ccc(Br)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.56
CHRNB2 P17787 4/20 0.51
CHRNA7 P36544 4/20 0.51
CHRNA4 P43681 4/20 0.51
PYCR1 P32322 1/20 0.44
HTR2A P28223 3/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
CHEK1 O14757 1/20 0.42
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL4035878 0.81 SLC6A4 (0.56) PYCR1HTR2ASLC6A4KCNH2
SCHEMBL680436 0.81 TAAR1 (0.60) TAAR1KMT2AGPR84
SCHEMBL8169154 0.79 CHRNA7 (0.53) TAAR1CHRNB2CHRNA7CHRNA4PYCR1
SCHEMBL11452260 0.79 PYCR1 (0.51) PYCR1HTR2ASLC6A4KCNH2KMT2A
SCHEMBL13840628 0.78 TAAR1 (0.56) TAAR1HTR2ASLC6A4KCNH2
SCHEMBL3857244 0.78 CHRNA7 (0.51) TAAR1CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL27519718 0.76 PYCR1 (0.45) PYCR1HTR2ASLC6A4KCNH2KMT2A
SCHEMBL6684805 0.76 PYCR1 (0.45) PYCR1HTR2ASLC6A4KCNH2KMT2A
SCHEMBL8163718 0.75 HTR2A (0.63) TAAR1CHRNB2CHRNA7CHRNA4PYCR1
SCHEMBL27499357 0.75 HTR2A (0.54) TAAR1HTR2ASLC6A4KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 TAAR1 2141/4885CHRNB2 1908/4885CHRNA7 1117/4885

“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.