SCHEMBL10095080

SCHEMBL10095080

c1ccc(-n2cnc3c2CCNC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ HCAR1 Q9BXC0 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ PNMT P11086 1/20 0.35
▸ CD44 P16070 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL16111137 0.89 HTR2C (0.43) PDK2CPB2P2RX7HTR2CHTT
SCHEMBL17868200 0.87 PDK2 (0.41) PDK2CPB2P2RX7HTR2CHTT
SCHEMBL5880449 0.83 ADRB1 (0.43) MCHR1
SCHEMBL16035377 0.80 PLD1 (0.44) P2RX7HTR2CHTT
SCHEMBL7425735 0.76 PDE3B (0.52) PDK2CPB2P2RX7HTTCYP11B2
SCHEMBL20831669 0.76 HCAR1 (0.46) P2RX7HTR2CMCHR1HCAR1HTR2A
SCHEMBL29876415 0.75 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL21772160 0.75 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL5880466 0.74 HTR7 (0.44) —
SCHEMBL29689603 0.74 P2RX7 (0.44) P2RX7

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 — — US disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 — — US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 — — US disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 — — US disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 — — US disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 — — US disclosed
CN-110003200-B P2X7 modulators 詹森药业有限公司 2021-11-26 — — CN 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 (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-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PDK2 870/4885CPB2 1966/4885P2RX7 2/4885
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK PDK2 43/4885CPB2 4257/4885P2RX7 3549/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PDK2 870/4885CPB2 1966/4885P2RX7 2/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK PDK2 43/4885CPB2 4257/4885P2RX7 3549/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PDK2 870/4885CPB2 1966/4885P2RX7 2/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 PDK2 870/4885CPB2 1966/4885P2RX7 2/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 PDK2 870/4885CPB2 1966/4885P2RX7 2/4885

“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.

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