SCHEMBL5575372

SCHEMBL5575372

CC(C)(C)C(N)(CN)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
PNMT P11086 2/20 0.38
TAAR1 Q96RJ0 4/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
DPP4 P27487 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A2 P23975 2/20 0.32
KIF11 P52732 1/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL7414917 0.78 TAAR1 (0.50) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL1431670 0.74 KCNN4 (0.56) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL3669301 0.74 KCNN4 (0.56) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL31521320 0.74 KCNN4 (0.56) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL12439704 0.74 HTR2A (0.42) KCNN4PNMTTAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2320513 0.73 HTR2A (0.41) KCNN4PNMTTAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL23886201 0.73 KCNN4 (0.54) KCNN4PNMTTAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL29857899 0.73 KCNN4 (0.54) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL6912370 0.73 KCNN4 (0.54) KCNN4PNMTTAAR1HTR2AHTR2C
SCHEMBL19265162 0.72 KCNN4 (0.48) KCNN4PNMTTAAR1HTR2AHTR2C

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KCNN4 4831/4885PNMT 3831/4885TAAR1 915/4885

“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.