SCHEMBL3095991

SCHEMBL3095991

CN(C)CCCCN=C=N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
DNM1 Q05193 3/20 0.39
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 2/20 0.34
HRH2 P25021 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 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
Hydrochloric Acid SCHEMBL28506360 0.98 CYP1A2 (0.47) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL992203 0.98 ALDH1A1 (0.50) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL839371 0.96 ALDH1A1 (0.48) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL301678 0.93
Ethane SCHEMBL8026831 0.91 CYP1A2 (0.54) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL248532 0.91 CYP1A2 (0.54) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Carbimide SCHEMBL8927383 0.91 CYP1A2 (0.54) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Ethane SCHEMBL2545448 0.88 CYP1A2 (0.52) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Iodomethane SCHEMBL7521844 0.88 CYP1A2 (0.52) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL28296907 0.88 CYP1A2 (0.52) CYP1A2CYP2D6ALDH1A1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B CYP1A2 1392/4885CYP2D6 950/4885ALDH1A1 1303/4885

“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.