SCHEMBL16033740

SCHEMBL16033740

Cc1ncc2c(n1)CNCC2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.55
HTR2B P41595 9/20 0.43
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR3A P46098 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PNMT P11086 2/20 0.35
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
ASIC3 Q9UHC3 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
SCHEMBL4135011 0.85 POLB (0.51) HTR2CHTR2BCHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7009040 0.84 POLB (0.50) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL1528492 0.82 HTR2C (0.37) HTR2CHTR2BPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2874635 0.81 HTR2C (0.36) HTR2CPOLBSMN1; SMN2
SCHEMBL30648742 0.78 HTR2C (0.55) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL12497623 0.78 HTR2C (0.55) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL26640418 0.78 HTR2C (0.55) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL24198202 0.77 HTR2C (0.51) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL28949544 0.77 HTR2C (0.51) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL19368147 0.77 HTR2C (0.51) HTR2CHTR2BCHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018120-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2024-01-18 US disclosed
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 EP disclosed
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 EP disclosed
EP-3186243-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-21 EP disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170174680-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
US-9604982-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-28 US disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (7 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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 HTR2C 503/4885HTR2B 265/4885CHRM4 261/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 HTR2C 458/4885HTR2B 268/4885CHRM4 207/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 HTR2C 4319/4885HTR2B 4014/4885CHRM4 4620/4885
US-20240018120-A1 MAGL INHIBITORS MAG, MAGI3, MAGT1 HTR2C 3902/4885HTR2B 4091/4885CHRM4 4564/4885
US-20160024082-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX3 HTR2C 114/4885HTR2B 64/4885CHRM4 156/4885
US-20170174680-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 HTR2C 503/4885HTR2B 265/4885CHRM4 261/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 HTR2C 503/4885HTR2B 265/4885CHRM4 261/4885

“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.