SCHEMBL9956072

SCHEMBL9956072

O=C(Cl)N1CCNc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.55
GPBAR1 Q8TDU6 2/20 0.50
HSD11B1 P28845 2/20 0.45
HSD17B3 P37058 1/20 0.45
CASP3 P42574 1/20 0.41
CASP2 P42575 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AVPR2 P30518 1/20 0.40
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3663893 0.84 AVPR1A (0.56) AVPR1AGPBAR1HSD11B1HSD17B3CASP3
SCHEMBL29941296 0.84 AVPR1A (0.56) AVPR1AGPBAR1HSD11B1HSD17B3CASP3
SCHEMBL3115822 0.83 HSD17B3 (0.60) AVPR1AGPBAR1HSD11B1HSD17B3AVPR2
SCHEMBL30529514 0.83 HSD17B3 (0.60) AVPR1AGPBAR1HSD11B1HSD17B3AVPR2
SCHEMBL30673672 0.83 AVPR1A (0.55) AVPR1AGPBAR1HSD11B1HSD17B3CASP3
SCHEMBL2331511 0.83 AVPR1A (0.55) AVPR1AGPBAR1HSD11B1HSD17B3CASP3
SCHEMBL30379071 0.80 HTT (0.57) AVPR1AGPBAR1HSD11B1HSD17B3ALDH1A1
SCHEMBL25937281 0.80 AVPR1A (0.52) AVPR1AGPBAR1HSD11B1HSD17B3CASP3
SCHEMBL26088243 0.80 HTT (0.57) AVPR1AGPBAR1HSD11B1HSD17B3ALDH1A1
SCHEMBL19949852 0.79 AVPR1A (0.51) AVPR1AGPBAR1HSD11B1HSD17B3CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG AVPR1A 1272/4885GPBAR1 339/4885HSD11B1 821/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG AVPR1A 1272/4885GPBAR1 339/4885HSD11B1 821/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG AVPR1A 1272/4885GPBAR1 339/4885HSD11B1 821/4885

“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.