SCHEMBL2616166

SCHEMBL2616166

COC(=O)c1ccc(OCCN2CCCCC2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 1/20 0.57
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 1/20 0.53
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
MCHR1 Q99705 1/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51

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
SCHEMBL1495906 0.88 CREBBP (0.55) SMN1; SMN2KDM4EMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1495905 0.87 CREBBP (0.54) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL6174157 0.86 MCHR1 (0.62) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL1495995 0.86 KDM4E (0.50) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL1495991 0.82 KDM4E (0.46) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL7445354 0.81 ALDH1A1 (0.59) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL5681637 0.80 KDM4E (0.92) KDM4EKMT2AALDH1A1ESR1ESR2
Hydrochloric Acid SCHEMBL7447159 0.80 ALDH1A1 (0.58) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL20504536 0.80 ACHE (0.56) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8693860 0.79 KDM4E (0.90) SMN1; SMN2KDM4EKMT2AALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B SMN1; SMN2 4623/4885KDM4E 2842/4885MEN1 977/4885

“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.