SCHEMBL4400331

SCHEMBL4400331

CC(C)(CO)NCC(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.49
NPC1 O15118 2/20 0.46
PTPN1 P18031 1/20 0.46
RAB9A P51151 1/20 0.46
HTR7 P34969 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
AGTR1 P30556 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DPP4 P27487 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
SCHEMBL2298691 0.84 PLOD2 (0.53) PLOD2NPC1PTPN1RAB9AHTR7
SCHEMBL4400325 0.83 KMT2A (0.50) PLOD2NPC1PTPN1RAB9ALMNA
SCHEMBL4397431 0.81 HTT (0.47) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL4398841 0.78 ALPG (0.48) MAPTMEN1KMT2AKDM4E
SCHEMBL4396491 0.76 POLB (0.50) HPGDHTT
SCHEMBL3757683 0.76 NPC1 (0.52) PLOD2NPC1PTPN1RAB9AALDH1A1
SCHEMBL2299475 0.74 NPC1 (0.55) PLOD2NPC1PTPN1RAB9AHTR7
SCHEMBL4394375 0.74 PTPN1 (0.49) PTPN1ALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL10472529 0.73 NPC1 (0.53) PLOD2NPC1PTPN1RAB9AHTR7
Hydrochloric Acid SCHEMBL3856160 0.73 NPC1 (0.53) PLOD2NPC1PTPN1RAB9AHTR7

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-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 PLOD2 1540/4885NPC1 1313/4885PTPN1 4734/4885

“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.