SCHEMBL2086320

SCHEMBL2086320

COCCCOc1cc(CNC2CC2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 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
SCHEMBL2085628 0.85 MEN1 (0.43) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL89815 0.85 MEN1 (0.54) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL90448 0.85 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2806174 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19650826 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL2805213 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL89036 0.82 HTT (0.41) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2809405 0.81 KMT2A (0.66) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL2807945 0.79 NPC1 (0.51) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL4504500 0.79 PKM (0.54) KMT2AALDH1A1SMN1; SMN2NPSR1CYP3A4

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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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 (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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3192/4885MEN1 2386/4885ALDH1A1 39/4885

“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.