SCHEMBL274525

SCHEMBL274525

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.50
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ ADRA2C P18825 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GFER P55789 1/20 0.33
▸ PTK2B Q14289 1/20 0.33

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
SCHEMBL29959037 1.00 NR1H2 (0.50) NR1H2GAATSHRGLAPOLB
SCHEMBL3308020 0.80 KDM4E (0.41) HRH4HTR3AKDM4EALDH1A1AR
SCHEMBL3561593 0.79 SRD5A2 (0.46) HRH4HTR3ASMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL3562874 0.77 HRH4 (0.37) TSHRPOLBHRH4HTR3AHPGD
SCHEMBL3561016 0.73 ALDH1A1 (0.43) POLBMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28176872 0.72 GAA (0.57) NR1H2GAATSHRGLAPOLB
SCHEMBL29959068 0.70 MAPT (0.59) NR1H2GAATSHRGLAPOLB
SCHEMBL880662 0.70 MAPT (0.59) NR1H2GAATSHRGLAPOLB
SCHEMBL28292803 0.69 SRD5A2 (0.36) NR1H2MAPTALDH1A1GFERMAPK1
SCHEMBL14320324 0.68 NR1H2 (0.52) NR1H2GAATSHRGLAPOLB

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 23 patents — showing the first 20. 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
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-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 — — US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 — — EP 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
EP-2074125-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS Novartis Ag (CH) 2009-07-01 — — EP disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 — — EP disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
WO-2008046802-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-24 — — WO disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 — — 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 (4 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 NR1H2 3262/4885GAA 1689/4885TSHR 3649/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 NR1H2 2488/4885GAA 3968/4885TSHR 4785/4885
US-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 NR1H2 440/4885GAA 163/4885TSHR 4515/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 NR1H2 3256/4885GAA 1284/4885TSHR 3365/4885

“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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