SCHEMBL9957770

SCHEMBL9957770

c1ccc(COCC2CCCCC23CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TACR1 P25103 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
OPRM1 P35372 2/20 0.37
DPP4 P27487 1/20 0.35
OPRL1 P41146 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL3388692 0.97 TSHR (0.42) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL25416146 0.81 SLC18A3 (0.40) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3387736 0.80 TAAR1 (0.38) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3382310 0.77 LMNA (0.39) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL9403491 0.75 TSHR (0.39) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL4677170 0.74 TSHR (0.54) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL3386074 0.74 CTSL (0.33) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL2701945 0.73 CTSL (0.53) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL8717934 0.72 OPRM1 (0.44) TSHRCTSLCTSBCTSKOPRM1
Hydrochloric Acid SCHEMBL30384626 0.71 CTSL (0.51) TSHRCTSLCTSBCTSK

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
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-12-12 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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 (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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 TSHR 168/4885CTSL 4627/4885CTSB 4042/4885
US-20130331349-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 TSHR 205/4885CTSL 4766/4885CTSB 4304/4885

“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.