SCHEMBL1150145

SCHEMBL1150145

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
HTR1F P30939 4/20 0.42
HTR1A P08908 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATR Q13535 1/20 0.40
GRM5 P41594 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MAPT P10636 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39

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
Hydrochloric Acid SCHEMBL1150085 0.99 PTPN11 (0.41) PTPN11HTR1FHTR1AHTR1BHTR1D
SCHEMBL1150151 0.91 NPC1 (0.49) PTPN11HTR1FHTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL1150030 0.90 NPC1 (0.48) PTPN11HTR1FHTR1AHTR1BHTR1D
SCHEMBL1473951 0.87 NPC1 (0.54) LMNANPC1RAB9AMAPT
SCHEMBL4085016 0.87 HTR1F (0.50) PTPN11HTR1FHTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL1471256 0.86 NPC1 (0.53) LMNANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4091202 0.86 HTR1F (0.49) PTPN11HTR1FHTR1AHTR1BHTR1D
SCHEMBL4090589 0.86 KCNQ3 (0.56) NPC1RAB9AMAPT
SCHEMBL1150425 0.85 KCNQ3 (0.56) HTR1FHTR1AHTR1BHTR1D
SCHEMBL1150269 0.85 HTR1F (0.43) PTPN11HTR1FHTR1AHTR1BHTR1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US claimed
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 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-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 PTPN11 1698/4885HTR1F 304/4885HTR1A 89/4885

“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.