SCHEMBL170880

SCHEMBL170880

CC(C)CCN(CCC#N)Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NR1D1 P20393 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
CHRNA7 P36544 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL13995348 0.86 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1LMNAKDM4E
SCHEMBL13970334 0.83 CHRNB2 (0.55) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL13954259 0.82 RECQL (0.48) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL13612958 0.80 CHRNB2 (0.44) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL12788358 0.79 RECQL (0.43) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL733210 0.77 CHRNB2 (0.63) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL14524638 0.76 RECQL (0.41) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL16625906 0.76 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1LMNAKDM4E
SCHEMBL26239734 0.75 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1LMNAKDM4E
SCHEMBL13949621 0.74 CHRNB2 (0.49) RECQLCHRNB2CHRNA4SMN1; SMN2ALDH1A1

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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP 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-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 RECQL 443/4885CHRNB2 503/4885CHRNA4 408/4885

“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.