SCHEMBL17123768

SCHEMBL17123768

OCC1C2COc3ccc(C(F)(F)F)cc3C12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
TERT O14746 1/20 0.37
FFAR1 O14842 2/20 0.35
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
PNMT P11086 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL18963298 1.00 HCRTR2 (0.41) HCRTR2TERTFFAR1LTB4RLTB4R2
SCHEMBL12355153 0.78 DRD2 (0.40) HCRTR2FFAR1CA2
SCHEMBL17107533 0.73 HCRTR2 (0.42) HCRTR2TERT
SCHEMBL758865 0.71 PNMT (0.47) HCRTR2TERTCHRNB2CHRNA4CHRNB4
SCHEMBL19199575 0.71 HCRTR2 (0.44) HCRTR2TERTFFAR1CHRNB2CHRNA4
SCHEMBL909508 0.70 HTT (0.46) FFAR1CTNNB1WNT3ACA2
SCHEMBL21810954 0.70 HCRTR2 (0.43) HCRTR2TERTFFAR1LTB4RLTB4R2
SCHEMBL909799 0.70 HTT (0.46) FFAR1CTNNB1WNT3ACA1CA2
SCHEMBL909506 0.70 HTT (0.46) FFAR1CTNNB1WNT3ACA2
SCHEMBL909948 0.70 HTT (0.46) FFAR1CTNNB1WNT3ACA1CA2

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-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
WO-2015150957-A1 CHROMENE AND 1,1 A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-10-08 WO disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 US disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 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 (2 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-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES CYP4B1, CTRB1, CTRB2 HCRTR2 1434/4885TERT 1127/4885FFAR1 1674/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB HCRTR2 1691/4885TERT 1445/4885FFAR1 1890/4885

“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.