SCHEMBL1829660

SCHEMBL1829660

NCC1(N2CCOCC2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HCN4 Q9Y3Q4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL20211315 0.98 THRB (0.41) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL1700249 0.98 THRB (0.41) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL16292376 0.96 GAA (0.37) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL24230216 0.90 GAA (0.34) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL14999555 0.89 GAA (0.38) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL16292167 0.84 THRB (0.33) THRBLMNACRHBPCRHR2ALDH1A1
SCHEMBL14247497 0.83 GAA (0.37) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL16308672 0.82 GAA (0.34) GAARAD52KMT2AKEAP1SMN1; SMN2
SCHEMBL8265735 0.81 KMT2A (0.37) GAARAD52KMT2A
SCHEMBL25165704 0.81 KMT2A (0.37) GAARAD52KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof VIVOZON, INC. (KR) 2025-10-07 US disclosed
US-20240360092-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF VIVOZON INC. (KR) 2024-10-31 US disclosed
US-12060339-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof VIVOZON INC. (KR) 2024-08-13 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
EP-4190770-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF Vivozon, Inc. (KR) 2023-06-07 EP disclosed
EP-4190770-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF Vivozon, Inc. (KR) 2023-06-07 EP disclosed
CN-116234552-A Dual modulators of mGluR5 and 5-HT2A receptors and uses thereof (株)倍宝尊 2023-06-06 CN disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20220274939-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF VIVOZON INC. (KR) 2022-09-01 US disclosed
WO-2022025636-A1 DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF 주식회사 비보존 2022-02-03 WO disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 WO disclosed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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 (9 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-12435051-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof GRM5, HTR5A, HTR2A THRB 746/4885LMNA 4783/4885CRHBP 154/4885
US-20240360092-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF GRM5, HTR5A, HTR2A THRB 746/4885LMNA 4783/4885CRHBP 154/4885
US-12060339-B2 Dual modulator of mGluR5 and 5-HT2A receptor, and use thereof GRM5, HTR5A, HTR2A THRB 746/4885LMNA 4783/4885CRHBP 154/4885
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 THRB 2569/4885LMNA 4160/4885CRHBP 2309/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 THRB 1461/4885LMNA 1260/4885CRHBP 1671/4885
US-20220274939-A1 DUAL MODULATOR OF MGLUR5 AND 5-HT2A RECEPTOR, AND USE THEREOF GRM5, HTR5A, HTR2A THRB 746/4885LMNA 4783/4885CRHBP 154/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 THRB 3594/4885LMNA 3040/4885CRHBP 1393/4885
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 THRB 187/4885LMNA 4797/4885CRHBP 3246/4885
US-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP THRB 3699/4885LMNA 2963/4885CRHBP 4684/4885

“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.