SCHEMBL9075810

SCHEMBL9075810

CC(C)(C)c1ccc(C(O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ HRH1 P35367 4/20 0.61
▸ DRD3 P35462 4/20 0.61
▸ HTR2A P28223 3/20 0.61
▸ HTR2B P41595 3/20 0.61
▸ DRD2 P14416 3/20 0.61
▸ OPRK1 P41145 3/20 0.61
▸ BLM P54132 2/20 0.61
▸ OPRM1 P35372 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ EGFR P00533 2/20 0.61
▸ FYN P06241 2/20 0.61
▸ CHRM2 P08172 2/20 0.61
▸ ABCB1 P08183 2/20 0.61
▸ HTR1A P08908 2/20 0.61
▸ ADRA2A P08913 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ CHRM1 P11229 2/20 0.61
▸ ADRB3 P13945 2/20 0.61

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
SCHEMBL11860229 0.95 KCNH2 (0.56) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL11863099 0.95 HRH1 (0.56) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL11866929 0.92 KCNH2 (0.56) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL6452266 0.90 KCNH2 (0.51) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL18609071 0.90 OPRK1 (0.49) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL1968862 0.89 LMNA (0.64) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL11859793 0.88 HTR1A (0.52) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL9075109 0.84 OPRM1 (0.46) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL9073468 0.84 SIGMAR1 (0.55) LMNADRD3DRD2HTR1ASLC6A4
SCHEMBL1969399 0.84 LMNA (0.51) KCNH2LMNAHRH1DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108195962-B Method for detecting and separating related substances of terfenadine 江苏联环药业股份有限公司 2020-08-11 — — CN claimed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 — — US disclosed
EP-0563134-B1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE WELLCOME FOUND (GB) 1996-06-19 — — EP disclosed
US-5416091-A Agents for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME CO. (US) 1995-05-16 — — 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 (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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO KCNH2 1413/4885LMNA 1841/4885HRH1 1562/4885

“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.

Send feedback