SCHEMBL3485394

SCHEMBL3485394

NN(c1ccccc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.40
ESR1 P03372 1/20 0.40
KCNA3 P22001 1/20 0.37
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL18639248 0.98 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL5971405 0.98 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL7818342 0.96 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL9391758 0.96 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL8518648 0.91 TAAR1 (0.36) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL7472203 0.86 HRH4 (0.40) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL22634123 0.81 SLC18A3 (0.45) MEN1KMT2ALMNACYP2D6
SCHEMBL8534401 0.78 CHRM1 (0.49) KDM4EMEN1KMT2ASMN1; SMN2PKM
SCHEMBL28581310 0.76 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL218047 0.76 KCNA3 (0.50) KDM4EMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3439658-B1 SOLUBLE C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-24 EP disclosed
WO-2017176620-A2 SOLUBLE C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2017-10-12 WO disclosed
US-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2010-09-16 US disclosed
EP-1753740-A2 AMINO CYCLOPENTYL HETEROCYCLIC AND CARBOCYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2007-02-21 EP disclosed
WO-2006001958-A2 AMINO CYCLOPENTYL HETEROCYCLIC AND CARBOCYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2006-01-05 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-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity CXCR3, CXCR1, CCR2 KDM4E 3897/4885MEN1 3621/4885KMT2A 4034/4885

“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.