SCHEMBL9965469

SCHEMBL9965469

COc1ccc2cc(-c3ccccc3NC3CCN(C(C)=O)CC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
HPGDS O60760 1/20 0.48
MAPT P10636 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ACP1 P24666 2/20 0.43
MTNR1B P49286 1/20 0.43
TP53 P04637 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIK3CG P48736 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL9965471 0.90 DYRK1A (0.50) DYRK1AHPGDSMAPTNOS3NOS1
SCHEMBL9965473 0.80 TSHR (0.54) MAPTTP53ALDH1A1
SCHEMBL9965478 0.79 TSHR (0.46) MAPTALDH1A1
SCHEMBL10224856 0.79 CHRM3 (0.50) MAPTALDH1A1
SCHEMBL9965403 0.79 CHRM3 (0.49) DYRK1AMAPTALDH1A1
SCHEMBL9965412 0.78 MLNR (0.47) MAPTALDH1A1
SCHEMBL10224761 0.78 TSHR (0.45) MAPTALDH1A1
SCHEMBL9965418 0.78 HDAC3 (0.48) MAPTCDK2ALDH1A1
SCHEMBL9965410 0.78 CHRM3 (0.50)
SCHEMBL9965477 0.78 IRAK1 (0.45) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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 (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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 DYRK1A 2839/4885HPGDS 3172/4885MAPT 4851/4885

“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.