SCHEMBL17367288

SCHEMBL17367288

CC(C)(C)OC(=O)N1CCC(C(=O)N(CC2CC2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
PTPRB P23467 1/20 0.54
PTPN11 Q06124 1/20 0.54
PDK2 Q15119 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3095087 0.86 MEN1 (0.53) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL15963304 0.83 STS (0.50) STSPTPRBPTPN11PTPN2PTPN1
SCHEMBL28750362 0.82 STS (0.50) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL28750334 0.81 MEN1 (0.48) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL28750298 0.81 MEN1 (0.48) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL28750307 0.80 MEN1 (0.48) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL3194613 0.78 STS (0.49) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL3189570 0.77 PTPRB (0.49) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL3397674 0.77 PTPRB (0.48) STSKMT2AMEN1PTPRBPTPN11
SCHEMBL3379626 0.77 MEN1 (0.64) STSKMT2AMEN1NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 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-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B STS 3003/4885KMT2A 3820/4885MEN1 1216/4885

“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.