SCHEMBL3272268

SCHEMBL3272268

Fc1cccc(-c2nccc(N3CCNCC3)n2)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.64
CYP2C9 P11712 1/20 0.64
HRH3 Q9Y5N1 1/20 0.50
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
HTR3A P46098 3/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
PLD1 Q13393 1/20 0.43
HRH4 Q9H3N8 3/20 0.42
CNR2 P34972 1/20 0.41

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 SCHEMBL3274660 0.99 CYP1A2 (0.62) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL3269298 0.80 HTR3A (0.51) CYP1A2CYP2C9HSD17B10ALDH1A1CYP3A4
SCHEMBL3269261 0.79 CYP1A2 (0.57) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL3268563 0.79 NMT1 (0.52) PLD1CNR2ADRB1
SCHEMBL3528071 0.78 CYP1A2 (0.67) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL31505927 0.78 CYP1A2 (0.75) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL3529715 0.78 CYP1A2 (0.66) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL26985963 0.78 CYP1A2 (0.75) CYP1A2CYP2C9HRH3HSD17B10ALDH1A1
SCHEMBL12469782 0.76 FAAH (0.54) CYP1A2CYP2C9ALDH1A1KDM4EHTR3A
Hydrochloric Acid SCHEMBL3268535 0.75 FAAH (0.53) CYP1A2CYP2C9ALDH1A1KDM4EHTR3A

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 728/4885CYP2C9 805/4885HRH3 69/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C9 805/4885HRH3 69/4885

“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.