SCHEMBL2201877

SCHEMBL2201877

CCCN(CCC)CCCCNCc1ccc(CN=Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CXCR4 P61073 1/20 0.40
CHRM2 P08172 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 4/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4951701 0.81 KMT2A (0.37) LMNANPSR1KMT2AMAPTRAB9A
SCHEMBL2201870 0.78 KMT2A (0.35) LMNANPSR1KMT2AMAPTRAB9A
SCHEMBL2204041 0.78 CXCR4 (0.41) SMN1; SMN2CXCR4CHRM2TMEM97SIGMAR1
SCHEMBL12426462 0.77 KMT2A (0.45) LMNATDP1KMT2AMAPTRAB9A
SCHEMBL2203380 0.74 CXCR4 (0.39) SMN1; SMN2CXCR4CHRM2LMNANPSR1
SCHEMBL2202386 0.74 CHRM2 (0.50) CXCR4CHRM2LMNAKDM4EKMT2A
SCHEMBL2202962 0.74 SCN8A (0.40) SMN1; SMN2CXCR4CHRM2LMNAHRH4
SCHEMBL2204056 0.74 CXCR4 (0.54) SMN1; SMN2CXCR4CHRM2LMNAHRH4
SCHEMBL12510185 0.73 HRH4 (0.47) SMN1; SMN2CXCR4CHRM2LMNAHRH4
SCHEMBL12509867 0.73 MAOA (0.43) SMN1; SMN2CXCR4CHRM2TMEM97SIGMAR1

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 6 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-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
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
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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 SMN1; SMN2 3667/4885CXCR4 2546/4885CHRM2 1357/4885

“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.