SCHEMBL432589

SCHEMBL432589

[2H]C1([2H])CCC(c2cccc(F)c2)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
RIPK1 Q13546 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GRIA4 P48058 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL29450150 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4POLB
SCHEMBL433220 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4POLB
SCHEMBL166716 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4POLB
SCHEMBL3503155 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4POLB
Hydrochloric Acid SCHEMBL450686 0.81 CHRNB2 (0.51) HTR2AHTR2CHTR2BCHRNB2CHRNA7
SCHEMBL433482 0.81 MEN1 (0.54) CHRNB2CHRNA7CHRNA4POLBSMN1; SMN2
SCHEMBL432592 0.81 CA1 (0.40) CA1HTR2AHTR2CHTR2BTAAR1
Hydrochloric Acid SCHEMBL450685 0.81 CHRNB2 (0.51) HTR2AHTR2CHTR2BCHRNB2CHRNA7
SCHEMBL29891721 0.81 CHRNB2 (0.41) CA1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL21523837 0.80 CHRNB2 (0.48) CA1HTR2AHTR2CHTR2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K CA1 4740/4885HTR2A 4025/4885HTR2C 4181/4885

“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.