SCHEMBL5200587

SCHEMBL5200587

NC(=O)C1(N2CCNCC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL6503554 0.98 ALDH1A1 (0.41) ALDH1A1TP53TSHRCA2CHKA
SCHEMBL6543859 0.85 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL1127702 0.85 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL5633342 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL10002524 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL30562291 0.84 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
Hydrochloric Acid SCHEMBL6544280 0.83 ALDH1A1 (0.48) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL8177031 0.82 ALDH1A1 (0.46) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL6544388 0.82 ALDH1A1 (0.43) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL6730674 0.82 CA2 (0.41) ALDH1A1TP53CA2CHKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422160-C Morpholine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-10-01 CN disclosed
EP-1150970-B1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2007-08-22 EP disclosed
US-20050054637-A1 Substituted piperazine cyclohexane carboxilic acid amides and the use thereof PASCAL ENGINEERING CORPORATION (JP) 2005-03-10 US disclosed
US-20050054637-A1 Substituted piperazine cyclohexane carboxilic acid amides and the use thereof PASCAL ENGINEERING CORPORATION (JP) 2005-03-10 US disclosed
US-20050054637-A1 Substituted piperazine cyclohexane carboxilic acid amides and the use thereof PASCAL ENGINEERING CORPORATION (JP) 2005-03-10 US disclosed
EP-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP disclosed
EP-1436273-A1 SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-07-14 EP disclosed
WO-2003033484-A1 SUBSTITUTED PIPERAZINE CYCLOHEXANE CARBOXILIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-04-24 WO disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 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-20050054637-A1 Substituted piperazine cyclohexane carboxilic acid amides and the use thereof AADAC, HCAR2, EGLN2 ALDH1A1 472/4885TP53 4598/4885TSHR 2392/4885

“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.