SCHEMBL15217036

SCHEMBL15217036

CC(C)(C)OCCCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GNAO1 P09471 1/20 0.36

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
SCHEMBL13801835 0.93 CXCR4 (0.50) CXCR4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8036108 0.88 SIGMAR1 (0.41) CXCR4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL26972452 0.86 HRH3 (0.40) HRH3
SCHEMBL26799755 0.84 CXCR4 (0.39) CXCR4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL823898 0.82 HRH3 (0.49) MEN1KMT2AALDH1A1HRH3
SCHEMBL21667849 0.82 HRH3 (0.45) MEN1KMT2AALDH1A1HRH3
SCHEMBL15219154 0.81 CXCR4 (0.46) CXCR4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1106451 0.80 HRH3 (0.51) ALDH1A1HRH3
SCHEMBL10192131 0.80 HRH3 (0.42) MEN1KMT2AALDH1A1HRH3SIGMAR1
SCHEMBL10025515 0.80 HRH3 (0.51) ALDH1A1HRH3

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
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
US-11013696-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2021-05-25 US disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A CXCR4 3555/4885SMN1; SMN2 1786/4885MEN1 4011/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CXCR4 1360/4885SMN1; SMN2 2665/4885MEN1 420/4885
US-11013696-B2 Lipids and lipid compositions for the delivery of active agents PHOSPHO1, SGMS1, LIPA CXCR4 1388/4885SMN1; SMN2 1525/4885MEN1 591/4885

“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.