SCHEMBL19397162

SCHEMBL19397162

COc1ccc(C(C)N2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.57
CHRM1 P11229 2/20 0.57
CHRM4 P08173 1/20 0.55
CHRM3 P20309 1/20 0.55
ACHE P22303 2/20 0.50
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
OPRM1 P35372 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
P4HB P07237 2/20 0.46
SMAD3 P84022 1/20 0.46

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
SCHEMBL20851520 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL24369695 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL11156973 0.98 CHRM2 (0.59) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL2091674 0.85 CHRM2 (0.49) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL8983621 0.84 ALDH1A1 (0.65) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL16026527 0.84 ADRB1 (0.54) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL3709025 0.84 HSD11B1 (0.56) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL12444346 0.81 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3ACHE
SCHEMBL16982012 0.79 CYP2D6 (0.56) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL27889529 0.79 CYP2D6 (0.43) CHRM2CHRM1CHRM4CHRM3ACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441888-B Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction 中国科学院大连化学物理研究所 2021-10-26 CN claimed
CN-112441888-A Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction 中国科学院大连化学物理研究所 2021-03-05 CN claimed
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
CN-112441888-B Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction 中国科学院大连化学物理研究所 2021-10-26 CN disclosed
CN-112441888-A Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction 中国科学院大连化学物理研究所 2021-03-05 CN disclosed
US-9962388-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-05-08 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 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-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST TLR7, TLR9, TLR1 CHRM2 4357/4885CHRM1 3839/4885CHRM4 2756/4885

“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.