SCHEMBL10095052

SCHEMBL10095052

O=C(OCc1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.54
P2RX7 Q99572 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TACR3 P29371 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2C19 P33261 1/20 0.46
TMEM97 Q5BJF2 6/20 0.45
SIGMAR1 Q99720 6/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL26126715 0.86 PTGDR2 (0.44) PDK2P2RX7MEN1KMT2ANPSR1
SCHEMBL6293100 0.82 SMN1; SMN2 (0.46) P2RX7MEN1KMT2ANPSR1TACR3
SCHEMBL1964904 0.80 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4245776 0.80 MEN1 (0.44) PDK2P2RX7MEN1KMT2ANPSR1
SCHEMBL1967826 0.80 MEN1 (0.48) P2RX7MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL20157515 0.79 PDK2 (0.64) PDK2P2RX7TACR3
SCHEMBL11914882 0.79 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12742493 0.79 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1976458 0.79 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21424891 0.78 PDK2 (0.62) PDK2P2RX7TACR3

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-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-05-31 US disclosed
EP-3778588-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-02-17 EP disclosed
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2021-02-04 US disclosed
WO-2019185046-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF 上海美悦生物科技发展有限公司 2019-10-03 WO disclosed
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 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 (4 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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK PDK2 43/4885P2RX7 3549/4885MEN1 4416/4885
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF F2, PCSK9, F9 PDK2 2600/4885P2RX7 2342/4885MEN1 573/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK PDK2 43/4885P2RX7 3549/4885MEN1 4416/4885
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof F2, PCSK9, F9 PDK2 2600/4885P2RX7 2342/4885MEN1 573/4885

“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.