SCHEMBL9455784

SCHEMBL9455784

Cc1cc(N2CCCCC2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.58
▸ CHKA P35790 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.46
▸ TERT O14746 2/20 0.46
▸ ELOVL1 Q9BW60 1/20 0.46
▸ UHRF1 Q96T88 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ S100B P04271 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL425041 0.98 HRH4 (0.56) HRH4CHKACD274TERTELOVL1
Water SCHEMBL28114608 0.96 HRH4 (0.54) HRH4CHKACD274TERTELOVL1
SCHEMBL21186191 0.90 HRH4 (0.50) HRH4CHKAUHRF1GAAMEN1
SCHEMBL13027958 0.84 HRH4 (0.63) HRH4CHKAGAAMEN1KMT2A
SCHEMBL13027974 0.83 HRH4 (0.61) HRH4ALDH1A1GAAMEN1MAPT
SCHEMBL2798864 0.81 ADRB2 (0.56) HRH4HTT
SCHEMBL7010820 0.81 HRH4 (0.44) HRH4UHRF1GAAMEN1MAPT
SCHEMBL11981573 0.81 TP53 (0.49) ALDH1A1MEN1MAPTALOX15MAPK1
SCHEMBL20899424 0.81 UHRF1 (0.41) HRH4CHKACD274UHRF1
SCHEMBL24767206 0.80 LDHA (0.45) HRH4UHRF1ALDH1A1MEN1MAPT

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
WO-2021004467-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF 南京明德新药研发有限公司 2021-01-14 — — WO disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 — — US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 — — US disclosed
WO-1992021317-A1 PYRIDINE 1-OXIDE BASED COMPOSITION FOR COMBATTING HAIR LOSS AND FOR INDUCING AND STIMULATING HAIR GROWTH L'OREAL (FR) 1992-12-10 — — WO disclosed
EP-0184322-B1 BENZIMIDAZOLES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 — — EP disclosed
EP-0184322-A1 Benzimidazoles SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-06-11 — — 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 (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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB HRH4 2095/4885CHKA 4112/4885CD274 2651/4885

“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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