SCHEMBL18914766

SCHEMBL18914766

CC(C)CN1CN(CC(C)C)CC(C)(N)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
PIK3CD O00329 4/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9851586 0.74 PIK3CD (0.44) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL14530947 0.73 CYP2D6 (0.47) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL20021305 0.70 PIK3CD (0.38) CYP2D6PIK3CDSMN1; SMN2
Hexetidine SCHEMBL23671984 0.70 CHRM2 (1.00) CYP2D6CHRM2HTR1AADRA2AADORA3
SCHEMBL25443765 0.69 PIK3CD (0.50) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL24607751 0.67 CYP2D6 (0.42) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL16441056 0.67 PIK3CD (0.35) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL16849184 0.67 PIK3CD (0.39) CYP2D6PIK3CDARG1ARG2SMN1; SMN2
SCHEMBL11998897 0.65 PIK3CD (0.38) CYP2D6PIK3CDSMN1; SMN2
SCHEMBL23939131 0.65 PIK3CD (0.47) CYP2D6PIK3CDSMN1; SMN2

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-20170172905-A1 AGENT FOR TEMPORARILY RESHAPING KERATIN-CONTAINING FIBERS COMPRISING PRESERVATIVE HENKEL AG & CO. KGAA (DE) 2017-06-22 US disclosed
US-20170172908-A1 AGENT FOR TEMPORARILY RESHAPING KERATIN-CONTAINING FIBERS COMPRISING PRESERVATIVE HENKEL AG & CO. KGAA (DE) 2017-06-22 US disclosed
US-20170151147-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENT WITH ANTI-WASH-OUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 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 (3 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-20170151147-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENT WITH ANTI-WASH-OUT EFFECT CD99, TPH2, TPH1 CYP2D6 1083/4885CHRM2 1322/4885HTR1A 48/4885
US-20170172908-A1 AGENT FOR TEMPORARILY RESHAPING KERATIN-CONTAINING FIBERS COMPRISING PRESERVATIVE KRT18, PRPH, CUTA CYP2D6 4047/4885CHRM2 4092/4885HTR1A 3148/4885
US-20170172905-A1 AGENT FOR TEMPORARILY RESHAPING KERATIN-CONTAINING FIBERS COMPRISING PRESERVATIVE KRT18, CUTA, PCNA CYP2D6 3672/4885CHRM2 4347/4885HTR1A 3571/4885

“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.