SCHEMBL13995293

SCHEMBL13995293

CC(C)CCN1CCC[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGER4 P35408 2/20 0.54
FKBP1A P62942 1/20 0.54
F2 P00734 7/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.50

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
SCHEMBL2441194 0.82 FKBP1A (0.60) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL7452551 0.82 FKBP1A (0.60) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL13995378 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAA
SCHEMBL8544795 0.81 FKBP1A (0.59) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL7276662 0.81 ELANE (0.47) ALDH1A1SMN1; SMN2CYP3A4FKBP1AKMT2A
SCHEMBL24820758 0.81 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL10144672 0.81 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL7302729 0.81 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL8272580 0.80 DPP4 (0.62) ALDH1A1SMN1; SMN2PTGER4F2
SCHEMBL8545031 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3443/4885SMN1; SMN2 4398/4885CYP3A4 1300/4885

“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.