SCHEMBL6213334

SCHEMBL6213334

COc1ccc(COc2ccc(Cl)cc2CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.62
MAOB P27338 7/20 0.53
ABCB1 P08183 2/20 0.48
STAT3 P40763 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
APP P05067 2/20 0.44

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
SCHEMBL24799408 0.87 MTNR1A (0.49) CCR5ABCB1STAT3MRGPRX4MTNR1A
Hydrochloric Acid SCHEMBL6215773 0.86 CCR5 (0.75) CCR5MAOBSTAT3MRGPRX4
Hydrochloric Acid SCHEMBL6214699 0.84 CCR5 (0.63) CCR5MAOBSTAT3MRGPRX4
Hydrochloric Acid SCHEMBL6213698 0.84 MAOB (0.59) CCR5MAOBABCB1MRGPRX4MTNR1A
Hydrochloric Acid SCHEMBL6214570 0.83 IDO1 (0.56) CCR5ABCB1
SCHEMBL1196687 0.82 CCR5 (0.64) CCR5STAT3MRGPRX4
SCHEMBL22687788 0.81 HSD17B10 (0.56) ABCB1MRGPRX4NPC1RAB9AMTNR1A
SCHEMBL20613050 0.81 MEN1 (0.58) CCR5ABCB1STAT3NPC1MTNR1A
Hydrochloric Acid SCHEMBL6214742 0.81 CCR5 (0.62) CCR5STAT3MRGPRX4
SCHEMBL21218582 0.80 MTNR1A (0.52) STAT3MRGPRX4NPC1RAB9AMTNR1A

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-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 CCR5 2406/4885MAOB 778/4885ABCB1 3474/4885

“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.