SCHEMBL3268992

SCHEMBL3268992

Fc1cccc(-c2cc(N3CCNCC3)ncn2)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.64
CYP2C19 P33261 3/20 0.64
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.45
DPP4 P27487 2/20 0.43
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.41
ADRB1 P08588 1/20 0.41
LRRK2 Q5S007 2/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
PLD1 Q13393 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL3274302 0.89 CYP1A2 (0.71) CYP1A2CYP2C19ALDH1A1ALOX15DPP4
SCHEMBL3275107 0.80 CYP1A2 (0.59) CYP1A2CYP2C19ALDH1A1ALOX15DPP4
SCHEMBL3530207 0.80 CYP1A2 (0.73) CYP1A2CYP2C19ALDH1A1ALOX15NPC1
SCHEMBL3269298 0.80 HTR3A (0.51) CYP1A2ALDH1A1CNR2ADRB1HTR1A
SCHEMBL3268563 0.79 NMT1 (0.52) CNR2ADRB1PLD1
SCHEMBL3527686 0.78 CYP1A2 (0.67) CYP1A2CYP2C19ALDH1A1ALOX15DPP4
SCHEMBL3272307 0.77 CYP1A2 (0.55) CYP1A2CYP2C19ALDH1A1DPP4NPC1
SCHEMBL3274363 0.75 CYP1A2 (0.56) CYP1A2CYP2C19ALDH1A1ALOX15DPP4
SCHEMBL13294774 0.75 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3268523 0.74 SMARCA2 (0.48) CYP1A2CYP2C19ALOX15CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C19 1087/4885ALDH1A1 259/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C19 1087/4885ALDH1A1 259/4885

“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.