SCHEMBL22028466

SCHEMBL22028466

CN(C)CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.52
KCNH2 Q12809 1/20 0.44
CCR2 P41597 2/20 0.44
IDO1 P14902 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15077165 0.93 KCNH2 (0.51) TACR1KCNH2CCR2IDO1NOS3
SCHEMBL10104415 0.90 TACR1 (0.45) TACR1KCNH2CCR2NOS3NOS1
SCHEMBL14492896 0.88 TACR1 (0.50) TACR1CCR2IDO1NOS3NOS1
SCHEMBL445763 0.88 TACR1 (0.44) TACR1KCNH2CCR2NOS3NOS1
Hydrochloric Acid SCHEMBL787937 0.87 TACR1 (0.43) TACR1KCNH2CCR2IDO1NOS3
SCHEMBL10682043 0.82 TAAR1 (0.57) KCNH2IDO1SIGMAR1LMNA
SCHEMBL15077173 0.81 TACR1 (0.46) TACR1KCNH2CCR2IDO1NOS3
SCHEMBL21416723 0.81 KCNH2 (0.62) KCNH2SIGMAR1LMNA
SCHEMBL10169147 0.78 NOS1 (0.44) TACR1NOS3NOS1NOS2
SCHEMBL20467130 0.78 IDO1 (0.45) TACR1IDO1NOS3NOS1

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-12415939-B2 Nano-adhesive and surface primer compound and use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-16 US disclosed
US-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-11 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-12415939-B2 Nano-adhesive and surface primer compound and use thereof CDH1, EPCAM, ICAM1 TACR1 725/4885KCNH2 3129/4885CCR2 2797/4885
US-20200181455-A1 NANO-ADHESIVE AND SURFACE PRIMER COMPOUND AND USE THEREOF CDH1, EPCAM, ICAM1 TACR1 725/4885KCNH2 3129/4885CCR2 2797/4885

“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.