SCHEMBL4525518

SCHEMBL4525518

N#CC1CCc2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.42
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SLC6A4 P31645 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.34
HSD17B1 P14061 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 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
SCHEMBL24481818 0.86 HTR2C (0.42) SRD5A1HTR2CHTR2BSLC6A4HTR1D
SCHEMBL31370935 0.79 SRD5A1 (0.42) SRD5A1HTR2CHTR2BSLC6A4TRPV1
SCHEMBL14790129 0.79 SRD5A1 (0.42) SRD5A1HTR2CHTR2BSLC6A4TRPV1
SCHEMBL19284764 0.79 SRD5A1 (0.44) SRD5A1HTR2CHTR2BSLC6A4TRPV1
SCHEMBL19285039 0.79 SRD5A1 (0.44) SRD5A1HTR2CHTR2BSLC6A4TRPV1
SCHEMBL13930554 0.79 SRD5A1 (0.43) SRD5A1SLC6A4TRPV1ALDH1A1HSD17B1
SCHEMBL1905346 0.79 SRD5A1 (0.44) SRD5A1HTR2CHTR2BSLC6A4TRPV1
SCHEMBL768770 0.76 HTR2A (0.41) HTR2CCYP17A1CYP3A4CYP11B2NPC1
SCHEMBL385632 0.75 CYP19A1 (0.49) SRD5A1HTR2CHSD17B1CHRNA7
SCHEMBL8348479 0.75 SRD5A1 (0.40) SRD5A1HTR2CHTR2BCYP17A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265700-A Substituted naphthyridinone derivative, pharmaceutical composition and application thereof 上海海雁医药科技有限公司 2024-06-28 CN disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
WO-2023083210-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海海雁医药科技有限公司 2023-05-19 WO disclosed
WO-2023083210-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海海雁医药科技有限公司 2023-05-19 WO disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 SRD5A1 1085/4885HTR2C 111/4885HTR2B 205/4885
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 SRD5A1 2067/4885HTR2C 2278/4885HTR2B 2014/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 SRD5A1 2067/4885HTR2C 2278/4885HTR2B 2014/4885

“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.