SCHEMBL172536

SCHEMBL172536

CC(C)CCNCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
MPO P05164 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.47
AOC3 Q16853 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28507125 0.87 TAAR1 (0.54) TAAR1MPOMEN1KMT2AHPGD
SCHEMBL22762068 0.84 TAAR1 (0.59) TAAR1MPOMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL7368184 0.83 TAAR1 (0.67) TAAR1MPOMEN1KMT2AHPGD
SCHEMBL434630 0.81 TAAR1 (0.56) TAAR1MPOMEN1KMT2AEPHX2
SCHEMBL172293 0.80 TAAR1 (0.63) TAAR1MPOMEN1KMT2AHPGD
SCHEMBL14668128 0.78 TAAR1 (0.52) TAAR1MPOMEN1KMT2AEPHX2
SCHEMBL17033966 0.78 TAAR1 (0.66) TAAR1MPOMEN1KMT2AHPGD
SCHEMBL170826 0.77 MPO (0.57) TAAR1MPOCYP3A4CYP2D6CHRM2
SCHEMBL12312602 0.77 TAAR1 (0.63) TAAR1MPOMEN1KMT2AHPGD
SCHEMBL10784795 0.74 KCNH2 (0.67) TAAR1ATML3MBTL1

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
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

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 TAAR1 632/4885MPO 3561/4885MEN1 510/4885

“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.