SCHEMBL19268055

SCHEMBL19268055

CCCN(C)c1cc(C(N)=O)c(N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.48
▸ AOC3 Q16853 2/20 0.41
▸ AR P10275 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL17376106 0.82 HTT (0.33) HCAR3MEN1LMNAMAPTKMT2A
SCHEMBL19268056 0.80 HCAR3 (0.44) HCAR3AOC3PARP1LMNACYP3A4
Hydrochloric Acid SCHEMBL4365233 0.73 NNMT (0.32) MEN1KMT2AHSD17B10
SCHEMBL17774956 0.73 IKBKB (0.41) HCAR3MEN1NR1I2LMNACHRM2
SCHEMBL14852700 0.73 HCAR3 (0.75) HCAR3AOC3TRPV1KDM4E
SCHEMBL17774951 0.71 HCAR3 (0.35) HCAR3MEN1NR1I2LMNACHRM2
SCHEMBL21318032 0.70 AR (0.49) HCAR3AOC3ARLMNAMAPT
SCHEMBL25239937 0.70 NNMT (0.49) HCAR3
SCHEMBL31140636 0.70 NNMT (0.49) HCAR3
SCHEMBL17376093 0.69 ALDH1A1 (0.49) HCAR3LMNACYP3A4MAPTKDM4E

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-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 — — 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-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 HCAR3 132/4885AOC3 2357/4885AR 702/4885

“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.

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