SCHEMBL15315532

SCHEMBL15315532

Cc1cc(N2CCNCC2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.54
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3A P46098 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2C P28335 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4286935 0.89 ADRB1 (0.67) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10104274 0.85 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1138607 0.83 ADRB1 (0.66) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL24123762 0.81 ADRB1 (0.57) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL14092967 0.81 ADRB1 (0.83) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL24123744 0.81 ADRB1 (0.68) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL27653612 0.81 ADRB1 (0.63) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL24123771 0.81 ADRA2C (0.40) HTR3AALDH1A1MAPTHRH4
SCHEMBL15315531 0.79 LMNA (0.50) ALDH1A1MAPT
SCHEMBL12187539 0.79 ADRB1 (0.54) ADRB1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 US disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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 (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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 ADRB1 1997/4885CHRM2 4824/4885CHRM4 4880/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ADRB1 4049/4885CHRM2 4875/4885CHRM4 4832/4885

“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.