SCHEMBL1495906

SCHEMBL1495906

COC(=O)c1ccc(OCCN2CCNCC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.55
KDM4E B2RXH2 6/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KCNA5 P22460 2/20 0.45
QPCT Q16769 1/20 0.44

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 SCHEMBL1495905 0.99 CREBBP (0.54) CREBBPKDM4EGAAMEN1KMT2A
SCHEMBL2616166 0.88 SMN1; SMN2 (0.64) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL1495995 0.86 KDM4E (0.50) CREBBPKDM4EGAAMEN1KMT2A
SCHEMBL1495991 0.80 KDM4E (0.46) KDM4EMEN1KMT2ATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL23247221 0.80 KDM4E (0.69) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL17991554 0.79 MGLL (0.56) KDM4EGAAALDH1A1TDP1
SCHEMBL5549183 0.77 RXFP1 (0.44) KDM4EMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL6174157 0.77 MCHR1 (0.62) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL25314236 0.76 TDP1 (0.57) KDM4EGAAKMT2AALDH1A1TDP1
SCHEMBL12492829 0.76 ALDH1A1 (0.55) KDM4EGAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 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 (2 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 CREBBP 4676/4885KDM4E 2842/4885GAA 4166/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B CREBBP 4676/4885KDM4E 2842/4885GAA 4166/4885

“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.