Sugi Predict

Sugi Predict / Compounds / SCHEMBL7103544

SCHEMBL7103544

SCHEMBL7103544

CC(=O)C(c1ccccc1)C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.62
▸ SLC6A3 Q01959 2/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ HTR1E P28566 3/20 0.61
▸ S1PR3 Q99500 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CHRM3 P20309 5/20 0.60
▸ CYP3A4 P08684 2/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52

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
SCHEMBL9809565 0.98 CHRM3 (0.61) SLC6A2SLC6A3SLC6A4HTR1ES1PR3
SCHEMBL4678502 0.86 SLC6A3 (0.60) SLC6A2SLC6A3SLC6A4HTR1ES1PR3
SCHEMBL69127 0.85 HTR1E (0.65) SLC6A2SLC6A3HTR1ES1PR3LMNA
SCHEMBL28373611 0.85 HTR1E (0.65) SLC6A2SLC6A3HTR1ES1PR3LMNA
SCHEMBL28622389 0.85 HTR1E (0.65) SLC6A2SLC6A3HTR1ES1PR3LMNA
SCHEMBL27701362 0.84 SLC6A3 (0.47) SLC6A2SLC6A3SLC6A4HTR1ES1PR3
SCHEMBL16975845 0.84 HTR1E (0.56) SLC6A2SLC6A3SLC6A4HTR1ES1PR3
SCHEMBL67219 0.83 HTR1E (0.63) SLC6A2SLC6A3HTR1ES1PR3LMNA
SCHEMBL8875745 0.83 HTR1E (0.63) SLC6A2SLC6A3HTR1ES1PR3LMNA
SCHEMBL193456 0.83 HTR1E (0.63) SLC6A2SLC6A3HTR1ES1PR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 — — EP disclosed
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 — — WO disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 — — US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 — — US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 — — US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 — — US disclosed
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-05-22 — — US disclosed
US-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 — — US disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 — — EP disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 — — WO disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 — — 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 (8 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-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 SLC6A2 637/4885SLC6A3 2225/4885SLC6A4 1490/4885
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain AGTR2, AGTR1, BDKRB2 SLC6A2 549/4885SLC6A3 2039/4885SLC6A4 1134/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A3 4268/4885SLC6A4 4489/4885

“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.