SCHEMBL6032385

SCHEMBL6032385

CCC1(c2ncccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL25220765 0.86 ALDH1A1 (0.41) CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL25409136 0.84 ALDH1A1 (0.40) CYP1A2CYP2C19KMT2A
SCHEMBL25314965 0.76 ALDH1A1 (0.31)
SCHEMBL9912736 0.74 GRIN1 (0.42) CYP1A2CYP2C19KMT2A
SCHEMBL19344901 0.70 ADRA2A (0.30) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL25922819 0.69 ALDH1A1 (0.34) CYP1A2CYP2C19KMT2A
SCHEMBL24147129 0.69
SCHEMBL31292327 0.68 KDM4E (0.34)
SCHEMBL15888817 0.67 HDAC8 (0.30)
SCHEMBL13069797 0.65 CYP19A1 (0.46)

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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A CYP1A2 83/4885CYP2C19 713/4885KMT2A 2444/4885

“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.