SCHEMBL4070982

SCHEMBL4070982

NC(=O)C1CCC([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 1/20 0.38
CCR1 P32246 6/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
LTA4H P09960 1/20 0.34
VCP P55072 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4061501 0.87 CCR1 (0.39) TSHRSMN1; SMN2CCR1TDP1LMNA
SCHEMBL4065261 0.83 CCR1 (0.36) TSHRSMN1; SMN2CYP2C19CCR1KMT2A
SCHEMBL4060993 0.83 CCR1 (0.36) TSHRSMN1; SMN2CYP2C19CCR1KMT2A
SCHEMBL4069721 0.81 CCR1 (0.37) CCR1LMNAALDH1A1KMT2A
SCHEMBL4068201 0.79 CCR1 (0.32) CCR1
SCHEMBL7581837 0.79 SMN1; SMN2 (0.37) TSHRSMN1; SMN2CYP2C19CCR1GAA
SCHEMBL4065712 0.79 SMN1; SMN2 (0.37) TSHRSMN1; SMN2CYP2C19CCR1GAA
SCHEMBL2675753 0.78 CCR1 (0.45) CCR1KMT2A
SCHEMBL4060331 0.74 CCR1 (0.35) TSHRSMN1; SMN2CYP2C19CCR1GAA
SCHEMBL4060673 0.74 CCR1 (0.45) CCR1ALDH1A1KMT2A

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-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 TSHR 1211/4885SMN1; SMN2 3291/4885CYP2C19 3140/4885

“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.