SCHEMBL12130366

SCHEMBL12130366

CCC(C)CN1CCN(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
MAOB P27338 4/20 0.33
KDM1A O60341 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PIK3CD O00329 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SLC2A1 P11166 1/20 0.30
CHRNA7 P36544 1/20 0.30
GLA P06280 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11570592 0.88
SCHEMBL20234024 0.83 TSHR (0.34) DAOMAOBKDM1ASIGMAR1PIK3CD
SCHEMBL10289113 0.81 ALDH1A1 (0.35) KDM2BPIK3CDKDM4EALDH1A1MAPT
SCHEMBL27420657 0.80 SLC18A3 (0.45) SIGMAR1PIK3CDKDM4EALDH1A1MAPT
SCHEMBL20725092 0.80 KDM4E (0.43) DAOMAOBKDM1AHRH3KDM4E
SCHEMBL4912757 0.80 DAO (0.33) DAOMAOBKDM1ASIGMAR1PIK3CD
SCHEMBL14725165 0.80 SLC18A3 (0.45) SIGMAR1PIK3CDKDM4EALDH1A1MAPT
SCHEMBL27420652 0.80 SLC18A3 (0.45) SIGMAR1PIK3CDKDM4EALDH1A1MAPT
SCHEMBL24713588 0.79 KDM4E (0.42) KDM2BSIGMAR1PIK3CDKDM4EALDH1A1
SCHEMBL22550677 0.79 KDM4E (0.42) KDM2BSIGMAR1PIK3CDKDM4EALDH1A1

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
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed
US-8063229-B2 Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-11-22 US disclosed
US-20100063285-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-03-11 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 (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-20100063285-A1 ANTIFUNGAL TRIAZOLE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CYP51A1, ERG28, CYP3A5 DAO 644/4885MAOB 362/4885KDM1A 1437/4885

“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.