SCHEMBL4414482

SCHEMBL4414482

Fc1ccc(-c2noc(C3CCNCC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.65
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
LMNA P02545 4/20 0.55
TSHR P16473 4/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GRM5 P41594 2/20 0.53
CLPP Q16740 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
Hydrochloric Acid SCHEMBL1477192 0.99 NR1H4 (0.64) NR1H4MAOAMAOBLMNATSHR
SCHEMBL4419275 0.85 NPC1 (0.74) NR1H4MAOAMAOBLMNATSHR
SCHEMBL4419637 0.85 NR1H4 (0.65) NR1H4MAOAMAOBLMNATSHR
SCHEMBL4416033 0.85 NPC1 (0.74) NR1H4MAOAMAOBLMNATSHR
SCHEMBL4422352 0.85 NR1H4 (0.65) NR1H4MAOAMAOBLMNATSHR
SCHEMBL13135844 0.85 NR1H4 (0.73) NR1H4MAOAMAOBLMNATSHR
SCHEMBL3123292 0.85 NR1H4 (0.72) NR1H4MAOAMAOBLMNATSHR
SCHEMBL24844540 0.85 NR1H4 (0.61) NR1H4MAOAMAOBLMNANPC1
Hydrochloric Acid SCHEMBL7551864 0.84 NPC1 (0.72) NR1H4MAOAMAOBLMNATSHR
Hydrochloric Acid SCHEMBL23858303 0.84 NR1H4 (0.64) NR1H4MAOAMAOBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US claimed
WO-2024030121-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-08 WO disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO disclosed
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN 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 (2 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 NR1H4 737/4885MAOA 510/4885MAOB 918/4885
US-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 NR1H4 90/4885MAOA 1790/4885MAOB 1651/4885

“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.