SCHEMBL4795273

SCHEMBL4795273

O=C(O)C1CCN(Cc2ccc3ccccc3c2)C1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.62
POLB P06746 1/20 0.61
SIGMAR1 Q99720 2/20 0.59
MCHR1 Q99705 1/20 0.59
CCR3 P51677 2/20 0.58
ACHE P22303 1/20 0.58
KMT2A Q03164 1/20 0.56
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
CAPN1 P07384 1/20 0.54
LTA4H P09960 3/20 0.54

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
SCHEMBL4795270 1.00 S1PR5 (0.62) S1PR5POLBSIGMAR1MCHR1CCR3
SCHEMBL7304448 0.92 MCHR1 (0.65) SIGMAR1MCHR1CCR3ACHEKMT2A
SCHEMBL250506 0.84 S1PR5 (0.77) S1PR5KMT2AS1PR4S1PR1S1PR3
SCHEMBL9037650 0.84 S1PR5 (0.77) S1PR5KMT2AS1PR4S1PR1S1PR3
SCHEMBL16301219 0.84 S1PR5 (0.77) S1PR5KMT2AS1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL892739 0.83 S1PR5 (0.75) S1PR5KMT2AS1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL892740 0.83 S1PR5 (0.75) S1PR5KMT2AS1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL893221 0.83 S1PR5 (0.75) S1PR5KMT2AS1PR4S1PR1S1PR3
SCHEMBL7417801 0.83 MCHR1 (0.68) SIGMAR1MCHR1CCR3ACHEKMT2A
SCHEMBL4662752 0.81 S1PR5 (0.62) S1PR5S1PR4S1PR1S1PR3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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 (1 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 S1PR5 3915/4885POLB 419/4885SIGMAR1 861/4885

“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.