SCHEMBL4073025

SCHEMBL4073025

CC(C)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.52
CCR1 P32246 2/20 0.47
METAP2 P50579 4/20 0.40
METAP1 P53582 3/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL7367047 0.85 REN (0.55) RENCCR1METAP2METAP1ALDH1A1
SCHEMBL7279876 0.85 REN (0.55) RENMETAP2METAP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9875689 0.84 REN (0.48) RENCCR1METAP2METAP1
Hydrochloric Acid SCHEMBL9876283 0.84 REN (0.54) RENCCR1METAP2METAP1ALDH1A1
Hydrochloric Acid SCHEMBL27692376 0.84 REN (0.54) RENCCR1METAP2METAP1ALDH1A1
SCHEMBL7317656 0.81 REN (0.53) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL7317650 0.81 REN (0.53) RENMETAP2METAP1ALDH1A1KMT2A
SCHEMBL9697153 0.80 REN (0.46) RENCCR1METAP2METAP1ALDH1A1
SCHEMBL14415375 0.79 REN (0.77) RENMETAP2ALDH1A1KMT2A
SCHEMBL14420373 0.79 REN (0.77) RENMETAP2ALDH1A1KMT2A

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 REN 1314/4885CCR1 21/4885METAP2 3568/4885

“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.