SCHEMBL2206048

SCHEMBL2206048

CCCN(CCC)CCCCCNCc1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
LMNA P02545 1/20 0.49
CXCR4 P61073 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 6/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
MAOA P21397 1/20 0.43

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 SCHEMBL2202981 0.98 LMNA (0.51) HRH4HRH3KDM6BKDM4AKDM2A
SCHEMBL2205452 0.98 HRH4 (0.51) HRH4HRH3KDM6BKDM4AKDM2A
Hydrochloric Acid SCHEMBL2201340 0.97 CYP1A2 (0.50) HRH4HRH3KDM6BKDM4AKDM2A
Hydrochloric Acid SCHEMBL15162287 0.97 CYP1A2 (0.50) HRH4HRH3KDM6BKDM4AKDM2A
SCHEMBL21799800 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL21799710 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL21799901 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL21799885 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL21799810 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL21799876 0.84 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CHRM2

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-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 HRH4 52/4885HRH3 132/4885KDM6B 2911/4885

“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.