SCHEMBL12687

SCHEMBL12687

Cc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.78
HRH4 Q9H3N8 1/20 0.69
ALDH1A1 P00352 4/20 0.68
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.68
KDM4E B2RXH2 1/20 0.67
CXCR4 P61073 1/20 0.64
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NCF1 P14598 1/20 0.60
HRH1 P35367 1/20 0.59

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
SCHEMBL329323 1.00 HRH3 (0.78) HRH3HRH4ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL6968666 0.98 HRH3 (0.75) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL11852 0.98 HRH3 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1046331 0.93 ALDH1A1 (0.70) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL13215736 0.93 ALDH1A1 (0.70) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1045595 0.91 ALDH1A1 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1045984 0.91 ALDH1A1 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL7989530 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4
SCHEMBL11356824 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4
SCHEMBL1045922 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US disclosed
EP-3480186-B1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO LTD (KR) 2022-06-15 EP disclosed
WO-2022114905-A1 NOVEL JAK-SPECIFIC INHIBITOR COMPOUND AND METHOD FOR PREPARING SAME 주식회사한국파마 2022-06-02 WO disclosed
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 US disclosed
EP-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 EP disclosed
EP-3601287-B1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIV PALACKEHO (CZ) 2021-12-15 EP disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (7 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ HRH3 4374/4885HRH4 4308/4885ALDH1A1 1243/4885
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 HRH3 4828/4885HRH4 4490/4885ALDH1A1 2551/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 HRH3 2177/4885HRH4 1983/4885ALDH1A1 398/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ HRH3 4374/4885HRH4 4308/4885ALDH1A1 1243/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 HRH3 1767/4885HRH4 2179/4885ALDH1A1 2897/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 HRH3 137/4885HRH4 42/4885ALDH1A1 4356/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 HRH3 951/4885HRH4 507/4885ALDH1A1 482/4885

“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.