SCHEMBL6825326

SCHEMBL6825326

CNCCc1ccc(N(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
CYP3A4 P08684 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TAAR1 Q96RJ0 4/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
ATM Q13315 2/20 0.56
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CALM1 P0DP23 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL10156581 0.83 TAAR1 (0.76) TSHRALDH1A1MAPK1TAAR1TMEM97
SCHEMBL4405018 0.81 ALDH1A1 (0.70) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL13579973 0.81 SIGMAR1 (0.61) TSHRALDH1A1MAPK1TAAR1TMEM97
SCHEMBL13359832 0.79 LMNA (0.57) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL26831140 0.78 ALDH1A1 (0.48) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL4573652 0.77 ALDH1A1 (0.65) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL6310153 0.77 ALDH1A1 (0.64) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL76217 0.76 ALDH1A1 (1.00) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL12679051 0.76 ALDH1A1 (1.00) TSHRALDH1A1MAPK1CYP3A4TDP1
SCHEMBL23928206 0.75 TAAR1 (0.44) TSHRALDH1A1MAPK1TAAR1TMEM97

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-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
EP-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO 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 (2 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-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 TSHR 126/4885ALDH1A1 3691/4885MAPK1 2393/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 TSHR 126/4885ALDH1A1 3691/4885MAPK1 2393/4885

“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.