SCHEMBL7028320

SCHEMBL7028320

O=C(NCC(F)(F)F)C1CNCCN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.34
HTR2C P28335 2/20 0.34
ARG1 P05089 1/20 0.32
AKT2 P31751 1/20 0.31
ADAM17 P78536 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL7028322 1.00 PRCP (0.34) PRCPHTR2CARG1AKT2ADAM17
SCHEMBL14395328 1.00 PRCP (0.34) PRCPHTR2CARG1AKT2ADAM17
SCHEMBL19996549 0.79 PRCP (0.45) PRCPAKT2
SCHEMBL5711822 0.78 PRCP (0.53) PRCPHTR2C
SCHEMBL10681169 0.76 PRCP (0.42) PRCPAKT2
SCHEMBL28980916 0.75 HSD17B10 (0.38) PRCPHTR2CAKT2
SCHEMBL2146145 0.75 HTR2C (0.52) HTR2C
SCHEMBL6626467 0.75 PRCP (0.53) PRCPAKT2
SCHEMBL2146136 0.75 HTR2C (0.52) HTR2C
SCHEMBL7765233 0.73 KMT2A (0.49) PRCPAKT2

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
EP-1242426-B1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20030191121-A1 Piperazine carboxamide intermediates of HIV protease inhibitors and processes for their preparation MILLER ROSS A (US) 2003-10-09 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-20030191121-A1 Piperazine carboxamide intermediates of HIV protease inhibitors and processes for their preparation PREP, CTSZ, FIP1L1 PRCP 33/4885HTR2C 1956/4885ARG1 310/4885

“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.