SCHEMBL5742585

SCHEMBL5742585

COc1cccc(C2(C#N)CCN(C3CCNCC3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
HTR2C P28335 2/20 0.43
ADRB1 P08588 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KHK P50053 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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 SCHEMBL4880648 0.99 KMT2A (0.63) KMT2AHTR2CADRB1PDCD1CD274
SCHEMBL5482313 0.91 KMT2A (0.61) KMT2AHTR2CADRB1PDCD1CD274
SCHEMBL5772537 0.91 KMT2A (0.61) KMT2AHTR2CADRB1PDCD1CD274
SCHEMBL5482311 0.91 KMT2A (0.61) KMT2AHTR2CADRB1PDCD1CD274
Hydrochloric Acid SCHEMBL4876659 0.90 KMT2A (0.60) KMT2AHTR2CADRB1PDCD1CD274
Hydrochloric Acid SCHEMBL4876770 0.90 KMT2A (0.60) KMT2AHTR2CADRB1PDCD1CD274
Hydrochloric Acid SCHEMBL4876651 0.90 KMT2A (0.60) KMT2AHTR2CADRB1PDCD1CD274
SCHEMBL5473769 0.88 KMT2A (0.67) KMT2APDCD1CD274SLC6A4SLC6A2
SCHEMBL5475198 0.87 KMT2A (0.77) KMT2APDCD1CD274ALDH1A1SLC6A4
SCHEMBL5475847 0.84 KMT2A (0.75) KMT2APDCD1CD274ALDH1A1SLC6A4

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-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885HTR2C 2201/4885ADRB1 164/4885

“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.