SCHEMBL3097606

SCHEMBL3097606

O=C(c1ccc(N2CCOCC2)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.51
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TET3 O43151 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL3102395 0.90 SMN1; SMN2 (0.52) TSHRHPGDTP53KMT2ACYP2C9
SCHEMBL3104041 0.89 SMN1; SMN2 (0.51) TSHRHPGDTP53KMT2ACYP2C9
SCHEMBL3110127 0.86 POLB (0.52) HPGDKMT2ACYP2C9CYP2C19CA12
SCHEMBL3099738 0.85 KDM4E (0.53) TSHRKMT2ACYP2C9CYP2C19CA12
SCHEMBL3088924 0.84 ALDH1A1 (0.68) TSHRHPGDKMT2ATET3FBXL19
SCHEMBL3101546 0.82 ALDH1A1 (0.59) TSHRHPGDKMT2ACYP2C9CYP2C19
SCHEMBL7908783 0.82 TSHR (0.55) TSHRHPGDTP53KMT2ACYP2C9
SCHEMBL3101764 0.81 MAPK1 (0.62) TSHRHPGDTP53KMT2ACYP2C9
SCHEMBL14080354 0.80 KMT2A (0.50) TSHRHPGDKMT2ACYP2C9CYP2C19
SCHEMBL3092940 0.78 KDM4E (0.46) TSHRHPGDTP53KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 TSHR 895/4885HPGD 1256/4885TP53 3137/4885

“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.