SCHEMBL1780574

SCHEMBL1780574

CCC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NR1H2 P55055 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18745351 0.94 MEN1 (0.51) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL19258134 0.87 USP2 (0.53) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1088328 0.86 USP2 (0.51) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23561209 0.84 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2APOLBRECQL
SCHEMBL12871784 0.84 HRH3 (0.43) USP2SMN1; SMN2KMT2APOLBRECQL
SCHEMBL10263665 0.83 USP2 (0.49) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL698803 0.82 USP2 (0.69) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18294 0.82 USP2 (0.69) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1778561 0.81 USP2 (0.58) USP2SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18609458 0.80 USP2 (0.46) USP2SMN1; SMN2MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9624241-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2017-04-18 US disclosed
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 USP2 3262/4885SMN1; SMN2 4257/4885MEN1 4863/4885

“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.