SCHEMBL172641

SCHEMBL172641

CC(C)CCNC(C)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
SLC6A4 P31645 3/20 0.52
CYP3A4 P08684 2/20 0.52
LMNA P02545 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
SMPD1 P17405 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
CASR P41180 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL13995616 0.82 HTR1A (0.53) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL8443448 0.82 HTR1A (0.48) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL9661837 0.82 HTR1A (0.80) HTR1AHTR7HTR6SLC6A4CYP3A4
Hydrochloric Acid SCHEMBL9661761 0.81 KMT2A (0.81) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL18687596 0.81 TAAR1 (0.47) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL31579895 0.81 HTR1A (0.47) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL13995255 0.80 CASR (0.78) HTR1ASLC6A4CYP3A4LMNASLC6A2
SCHEMBL15131222 0.80 CASR (0.78) HTR1ASLC6A4CYP3A4LMNASLC6A2
SCHEMBL19462764 0.80 PKM (0.52) HTR1AHTR7HTR6SLC6A4CYP3A4
SCHEMBL13975423 0.79 HTR1A (0.46) HTR1AHTR7HTR6SLC6A4CYP3A4

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 6 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-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 HTR1A 263/4885HTR7 439/4885HTR6 454/4885

“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.