SCHEMBL10224082

SCHEMBL10224082

CC(C)Cc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.60
▸ KMT2A Q03164 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ TP53 P04637 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ TSHR P16473 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ ADRA1D P25100 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ ADRA1B P35368 1/20 0.54
▸ DRD3 P35462 1/20 0.54

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
SCHEMBL13533212 1.00 HPGD (0.60) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19421520 0.99 KMT2A (0.59) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19421519 0.87 SMN1; SMN2 (0.55) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10224025 0.86 RAB9A (0.60) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20812317 0.86 ACACB (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL24294378 0.84 SMN1; SMN2 (0.48) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10174738 0.84 KMT2A (0.66) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4486004 0.84 KMT2A (0.66) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7901273 0.82 SMN1; SMN2 (0.65) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15592556 0.82 CYP2D6 (0.48) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-04 — — US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — 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 (4 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT HPGD 273/4885KMT2A 4058/4885NPC1 1955/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HPGD 1984/4885KMT2A 2847/4885NPC1 2555/4885
US-20180002312-A1 TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, HRH4 HPGD 2958/4885KMT2A 3093/4885NPC1 3170/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HPGD 828/4885KMT2A 65/4885NPC1 631/4885

“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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