SCHEMBL3465277

SCHEMBL3465277

COc1ccc([CH]CC(N)=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CTSL P07711 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ TUBB1 Q9H4B7 2/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL3465092 0.88 ALDH1A1 (0.53) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL3465192 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL15157516 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL16649782 0.82 TUBB1 (0.50) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL15210442 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL3465167 0.78 SMN1; SMN2 (0.49) ALDH1A1MAPK1KMT2AHPGDSMN1; SMN2
SCHEMBL16649848 0.78 CYP1A2 (0.50) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL155784 0.77 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2ACTSL
SCHEMBL29723752 0.77 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2ACTSL
SCHEMBL3465408 0.76 TUBB1 (0.54) ALDH1A1MEN1KMT2ALMNACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
EP-2655371-B1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 — — EP disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 — — US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US 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 (3 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885MAPK1 973/4885MEN1 2604/4885
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 719/4885MAPK1 372/4885MEN1 3429/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ALDH1A1 268/4885MAPK1 410/4885MEN1 1895/4885

“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.

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