SCHEMBL13995502

SCHEMBL13995502

COc1ccc(CCNCCC(C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
GLA P06280 1/20 0.57
ADRB2 P07550 2/20 0.56
SLC2A1 P11166 1/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.54
SLC22A1 O15245 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRB1 P08588 1/20 0.54
CHRM1 P11229 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRM1 P35372 1/20 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
SCHEMBL7435099 0.88 ATM (0.76) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11808765 0.87 ATM (0.73) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10553039 0.86 ADRB2 (0.61) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL514951 0.86 NPSR1 (0.70) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31061408 0.86 NPSR1 (0.70) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1970148 0.86 ADRB2 (0.64) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9781659 0.84 ADRB2 (0.63) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL178400 0.83 STAT3 (0.67) ATMPOLBALDH1A1KDM4EMAPT
SCHEMBL10636486 0.82 ADRB2 (0.68) ATMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1972067 0.82 SIGMAR1 (0.70) ATMPOLBSMN1; SMN2ALDH1A1KDM4E

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 4 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-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 ATM 4719/4885POLB 4196/4885SMN1; SMN2 4398/4885

“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.