SCHEMBL795482

SCHEMBL795482

COC(=O)c1cc(N2CCc3cc(N)ccc32)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.40
SRD5A2 P31213 4/20 0.40
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
KLF5 Q13887 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 5/20 0.38
CREBBP Q92793 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL795478 0.84 KMT2A (0.46) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL1336313 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDROCK1
SCHEMBL795312 0.72 ROCK1 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28714598 0.72 ALDH1A1 (0.36) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL29479598 0.72 ALDH1A1 (0.36) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31345624 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EPKMHPGDROCK1
SCHEMBL29756072 0.70 ATAD2 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28402470 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EPKMHPGDGAA
SCHEMBL28408160 0.69 DDB1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12284123 0.69 MAPT (0.56) SRD5A1SRD5A2ALDH1A1KDM4ESMN1; SMN2

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-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 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-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 SRD5A1 2413/4885SRD5A2 3505/4885NPC1 3334/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 SRD5A1 2413/4885SRD5A2 3505/4885NPC1 3334/4885

“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.