SCHEMBL2476330

SCHEMBL2476330

Clc1nc(N2CCOCC2)cc(N2CC3(COC3)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
MAPT P10636 3/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PIK3CB P42338 2/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL856718 0.85 MAPT (0.61) CYP1A2MAPTCYP2D6KMT2AHTT
SCHEMBL2476720 0.81 MAPT (0.55) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL2471520 0.81 MAPT (0.51) CYP1A2MAPTCYP2D6KMT2AHTT
SCHEMBL30068177 0.80 CYP1A2 (0.36) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL16505671 0.77 LMNA (0.50) CYP1A2MAPTCYP2D6HTTPOLB
SCHEMBL856815 0.77 MAPT (0.70) CYP1A2MAPTCYP2D6KMT2AHTT
SCHEMBL29762330 0.77 MAPT (0.70) CYP1A2MAPTCYP2D6KMT2AHTT
SCHEMBL2440442 0.76 PIK3CA (0.56) HTTPIK3CBPIK3CAPIK3CD
SCHEMBL17204101 0.75 MAPT (0.61) CYP1A2MAPTCYP2D6KMT2AHTT
SCHEMBL2531188 0.74 KMT2A (0.68) CYP1A2MAPTCYP2D6KMT2AHTT

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
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 US disclosed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 EP disclosed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 CYP1A2 3338/4885MAPT 3940/4885CYP2D6 1542/4885

“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.