SCHEMBL6947360

SCHEMBL6947360

N#CCCn1c(CCCOC2CCCCO2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PKM P14618 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4C Q9H3R0 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
SCHEMBL6108764 0.76 KDM4C (0.45) SMN1; SMN2LMNATP53HTTMEN1
SCHEMBL6944134 0.74 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1LMNATSHRTP53
SCHEMBL20665112 0.71 LMNA (0.61) SMN1; SMN2ALDH1A1LMNATSHRTP53
SCHEMBL29832042 0.70 TGFBR1 (0.56) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL18834589 0.70 SLC9A1 (0.48) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL13316560 0.70 MEN1 (0.45) MEN1KMT2AKDM4C
SCHEMBL5858037 0.70 MEN1 (0.45) MEN1KMT2AKDM4C
SCHEMBL7242139 0.69 CCR3 (0.50) SMN1; SMN2ALDH1A1LMNATSHRTP53
SCHEMBL13085873 0.69 DRD2 (0.58) —
SCHEMBL8197550 0.69 SIGMAR1 (0.49) ALDH1A1TSHRTP53HTTMEN1

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
US-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-10-16 — — US disclosed
EP-1244450-A4 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-03-19 — — EP disclosed
US-20030018038-A1 1,4 substituted piperidinyl NMDA/NR2B antagonists MERCK & CO., INC. 2003-01-23 — — US disclosed
US-6476041-B1 1,4 substituted piperidinyl NMDA/NR2B antagonists MERCK & CO., INC. 2002-11-05 — — US disclosed
EP-1244450-A1 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-10-02 — — EP disclosed
US-6432976-B1 ANALGESICS; SIDE EFFECT REDUCTION MERCK & CO., INC. 2002-08-13 — — US disclosed
WO-2001032179-A1 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — 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 (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-20030018038-A1 1,4 substituted piperidinyl NMDA/NR2B antagonists GRIN1, GRIN2A, GRIN2B SMN1; SMN2 761/4885ALDH1A1 2346/4885LMNA 4661/4885
US-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 SMN1; SMN2 1597/4885ALDH1A1 106/4885LMNA 1572/4885

“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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