SCHEMBL4763820

SCHEMBL4763820

CC(C)c1cc(Br)ccc1OCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 3/20 0.42
▸ MAOB P27338 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ USP28 Q96RU2 1/20 0.39
▸ USP25 Q9UHP3 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL3915066 0.87 CCR5 (0.60) CCR5ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL4768845 0.82 KMT2A (0.56) CCR5ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL31053305 0.80 SLC6A4 (0.46) CCR5ALDH1A1RAB9AMAPTLMNA
SCHEMBL31053270 0.80 SLC6A4 (0.46) CCR5ALDH1A1RAB9AMAPTLMNA
SCHEMBL31053211 0.79 CCR5 (0.45) CCR5ALDH1A1RAB9AHTTMAPT
SCHEMBL4766724 0.79 KDM4E (0.55) CCR5ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4775913 0.78 MAOB (0.51) MAOB
SCHEMBL8161790 0.77 CCR5 (0.59) CCR5ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL31053278 0.76 PTGDR2 (0.59) ALDH1A1SMN1; SMN2MAPTLMNAMAOB
SCHEMBL17700565 0.76 CCR5 (0.58) CCR5ALDH1A1RAB9AHTTSMN1; SMN2

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-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CCR5 2731/4885ALDH1A1 2989/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CCR5 2604/4885ALDH1A1 1071/4885RAB9A 2304/4885

“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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