SCHEMBL7536862

SCHEMBL7536862

CCCNc1cc(C)ccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.51
GUCY1B1 Q02153 1/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 3/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
CNR2 P34972 1/20 0.47
GAA P10253 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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 SCHEMBL21248268 0.98 GUCY1A1 (0.50) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL18780208 0.86 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL28045736 0.86 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL5284421 0.85 GUCY1A1 (0.54) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL11333572 0.83 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTHTTRAPGEF4
SCHEMBL2499765 0.83 CYP3A4 (0.64) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL11509090 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHTTCNR2CYP3A4
SCHEMBL11474259 0.82 GUCY1A1 (0.54) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL10813080 0.82 GUCY1A1 (0.50) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT
SCHEMBL9363410 0.80 RAPGEF4 (0.52) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 WO disclosed
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them FONTAINE EVELYNE (FR) 2002-09-26 US disclosed
EP-0934290-B1 AMINOTHIAZOLE DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-04-17 EP disclosed
US-6344470-B1 Aminothiazole derivatives, method of preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-02-05 US disclosed
EP-0934290-A1 AMINOTHIAZOLE DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1999-08-11 EP disclosed
WO-1998015543-A1 AMINOTHIAZOLE DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1998-04-16 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 (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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GUCY1A1 2121/4885GUCY1B1 1415/4885ALDH1A1 3486/4885
US-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them CRHR1, ADRA1D, ADRB1 GUCY1A1 1305/4885GUCY1B1 1728/4885ALDH1A1 1454/4885
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 GUCY1A1 4274/4885GUCY1B1 4567/4885ALDH1A1 932/4885

“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.