SCHEMBL3274302

SCHEMBL3274302

Fc1ccccc1-c1cc(N2CCNCC2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.71
CYP2C19 P33261 3/20 0.70
DPP4 P27487 2/20 0.53
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
HTR6 P50406 1/20 0.48
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLD1 Q13393 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43

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
SCHEMBL3268992 0.89 CYP1A2 (0.64) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
SCHEMBL3275107 0.85 CYP1A2 (0.59) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
SCHEMBL3530207 0.84 CYP1A2 (0.73) CYP1A2CYP2C19ALOX15ALDH1A1HTR7
SCHEMBL3527686 0.83 CYP1A2 (0.67) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
SCHEMBL3537474 0.79 FAAH (0.52) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL3268512 0.78 NPC1 (0.70) CYP1A2CYP2C19DPP4ALDH1A1HTR7
SCHEMBL3274363 0.77 CYP1A2 (0.56) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
SCHEMBL3272307 0.77 CYP1A2 (0.55) CYP1A2CYP2C19DPP4ALDH1A1HTR7
SCHEMBL19817233 0.75 NPC1 (0.60) CYP1A2CYP2C19DPP4ALOX15ALDH1A1
SCHEMBL29857433 0.75 NPC1 (0.60) CYP1A2CYP2C19DPP4ALOX15ALDH1A1

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
CN-101981010-A Amide compound TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
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 1087/4885DPP4 2126/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C19 1087/4885DPP4 2126/4885

“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.