SCHEMBL13172002

SCHEMBL13172002

CCCOC1CCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
MLNR O43193 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NCF1 P14598 1/20 0.35
NPC1 O15118 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL12886625 1.00 CHRM1 (0.36) CHRM1CHRM3CHRM2HTR2CHTR2B
SCHEMBL12886875 1.00 CHRM1 (0.36) CHRM1CHRM3CHRM2HTR2CHTR2B
SCHEMBL16750998 0.88 SMN1; SMN2 (0.46) CHRM1CHRM3CHRM2TAAR1NPC1
SCHEMBL12886703 0.88 SMN1; SMN2 (0.46) CHRM1CHRM3CHRM2TAAR1NPC1
SCHEMBL12886849 0.88 SMN1; SMN2 (0.46) CHRM1CHRM3CHRM2TAAR1NPC1
SCHEMBL14886377 0.88 LIPC (0.39) HTR2CHTR2ANCF1SMN1; SMN2
SCHEMBL14886385 0.88 LIPC (0.39) HTR2CHTR2ANCF1SMN1; SMN2
SCHEMBL12204126 0.88 LIPC (0.39) HTR2CHTR2ANCF1SMN1; SMN2
SCHEMBL12049582 0.87 NPC1 (0.42) CHRM1CHRM3CHRM2HTR2CHTR2B
SCHEMBL23986827 0.86 GNAI3 (0.40)

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
WO-2020233512-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE 成都海创药业有限公司 (CN) 2020-11-26 WO disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 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 (3 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-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A CHRM1 249/4885CHRM3 240/4885CHRM2 239/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 CHRM1 4764/4885CHRM3 4375/4885CHRM2 4559/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 CHRM1 4764/4885CHRM3 4375/4885CHRM2 4559/4885

“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.