SCHEMBL7724222

SCHEMBL7724222

O=C(NCCc1c[nH]c2ccccc12)N(CCO)CCC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.59
▸ MTNR1A P48039 2/20 0.58
▸ HTR1A P08908 1/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ACHE P22303 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MMP9 P14780 1/20 0.48
▸ AANAT Q16613 1/20 0.48

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
SCHEMBL7729329 0.87 BCHE (0.54) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL11468610 0.75 MTNR1A (0.97) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL18426580 0.74 SLC6A4 (0.76) BCHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7729401 0.74 HSD17B10 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11471892 0.74 BCHE (0.79) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL173896 0.73 MTNR1A (0.69) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL7574546 0.73 MTNR1A (0.65) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL22221910 0.72 BCHE (0.76) BCHEMTNR1AHTR1AMEN1KMT2A
SCHEMBL6732080 0.72 MEN1 (0.43) BCHEMTNR1AMEN1KMT2AALDH1A1
SCHEMBL734047 0.72 MEN1 (0.74) MTNR1AHTR1AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 — — US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 — — US disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 — — 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 BCHE 1174/4885MTNR1A 3983/4885HTR1A 2747/4885

“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.

Send feedback