SCHEMBL6581875

SCHEMBL6581875

CCOC(=O)C1(CC(=O)O)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 4/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 3/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL28636627 0.98 CYP2C19 (0.57) CYP2C19SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7487765 0.96 CYP2C19 (0.48) CYP2C19SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12314309 0.86 CYP2C19 (0.39) CYP2C19SMN1; SMN2OPRM1LMNAPOLB
SCHEMBL12265852 0.84 LMNA (0.41) CYP2C19SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12265851 0.83 CYP2C19 (0.37) CYP2C19SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12999536 0.82 CYP2C19 (0.47) CYP2C19SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17454 0.82 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMEN1KMT2ANPC1
SCHEMBL28043400 0.81 CYP2C19 (0.37) CYP2C19SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6061189 0.80 SMN1; SMN2 (0.35) CYP2C19SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1691141 0.80 CYP4F2 (0.41) SMN1; SMN2KDM4EMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CYP2C19 1226/4885SMN1; SMN2 2484/4885KDM4E 1258/4885

“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.