SCHEMBL3308020

SCHEMBL3308020

CN1CCC(=Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AR P10275 1/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ SLC9A1 P19634 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ MET P08581 1/20 0.36
▸ SRD5A2 P31213 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL3561593 0.89 SRD5A2 (0.46) SRD5A2HPGDNPSR1HTR3AHRH4
SCHEMBL16380723 0.87 EGFR (0.42) ARERN1CYP2C9CYP2C19SLC9A1
Hydrochloric Acid SCHEMBL3562874 0.86 HRH4 (0.37) SRD5A2HPGDNPSR1HTR3AHRH4
SCHEMBL3561016 0.82 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10CYP2C9SRD5A2
SCHEMBL29959037 0.80 NR1H2 (0.50) KDM4EALDH1A1HSD17B10ARCYP2C19
SCHEMBL274525 0.80 NR1H2 (0.50) KDM4EALDH1A1HSD17B10ARCYP2C19
SCHEMBL16334973 0.76 EGFR (0.44) SRD5A2HPGDNPSR1
SCHEMBL16380654 0.74 KDM4E (0.66) KDM4EALDH1A1HSD17B10CYP2C19SLC9A1
SCHEMBL2707620 0.71 NR1H2 (0.66) KDM4EALDH1A1
SCHEMBL23149200 0.69 CES2 (0.44) CYP3A4CYP2D6SRD5A2HPGDHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 — — US claimed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 — — US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 — — US claimed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 — — EP claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 — — EP claimed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 — — WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 — — WO claimed
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 — — US disclosed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 — — US disclosed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 — — US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 — — US disclosed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 — — EP disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 — — 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS KDM4E 3893/4885ALDH1A1 2955/4885HSD17B10 2330/4885
US-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 KDM4E 3875/4885ALDH1A1 68/4885HSD17B10 426/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 KDM4E 1717/4885ALDH1A1 4102/4885HSD17B10 3043/4885

“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.

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