SCHEMBL2201948

SCHEMBL2201948

CCCN(CCC)CCCCCNCc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.50
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
CXCR4 P61073 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2A6 P11509 1/20 0.42
S1PR2 O95136 1/20 0.42

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 SCHEMBL2205193 0.99 SCN8A (0.49) SCN8AHRH4HRH3LOXL2CXCR4
SCHEMBL2207581 0.99 SCN8A (0.51) SCN8AHRH4HRH3LOXL2CXCR4
Hydrochloric Acid SCHEMBL2199547 0.97 SCN8A (0.50) SCN8AHRH4HRH3LOXL2CXCR4
SCHEMBL6764034 0.84 SCN8A (0.53) SCN8AHRH4HRH3LOXL2SMN1; SMN2
SCHEMBL2828109 0.83 SCN8A (0.58) SCN8AHRH4HRH3LOXL2LMNA
SCHEMBL2206048 0.82 HRH4 (0.50) HRH4HRH3CXCR4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2202981 0.81 LMNA (0.51) HRH4HRH3CXCR4LMNASMN1; SMN2
SCHEMBL2205452 0.81 HRH4 (0.51) HRH4HRH3CXCR4LMNASMN1; SMN2
SCHEMBL13985127 0.80 LOXL2 (0.65) SCN8AHRH4HRH3LOXL2LMNA
SCHEMBL15831741 0.80 LOXL2 (0.62) SCN8AHRH4HRH3LOXL2LMNA

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
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US claimed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US claimed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 SCN8A 2753/4885HRH4 52/4885HRH3 132/4885

“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.