SCHEMBL10129888

SCHEMBL10129888

CC(C)C1CCNCC1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
GBA1 P04062 2/20 0.32

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
SCHEMBL18523230 0.86 TRPA1 (0.32)
SCHEMBL24844006 0.85 SLC6A1 (0.35) GBA1
SCHEMBL22663314 0.83 GBA1 (0.33) KCNH2GBA1
SCHEMBL18309925 0.80 TRPA1 (0.31) KCNH2
SCHEMBL20676098 0.80 TRPA1 (0.31) KCNH2
SCHEMBL19122839 0.80 TRPA1 (0.31) KCNH2
SCHEMBL18309924 0.80 TRPA1 (0.31) KCNH2
SCHEMBL12384574 0.80 TRPA1 (0.31) KCNH2
SCHEMBL24267942 0.80 TRPA1 (0.31) KCNH2GBA1
SCHEMBL21744770 0.80 TRPA1 (0.31) KCNH2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334464-B1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
WO-2023072197-A1 PIPERIDINYL INDOLE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-05-04 WO disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 US disclosed
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11236085-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2022-02-01 US disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-11053219-B2 Substituted pyridines as TYK2 inhibitors ESKER THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-11053237-B2 Process for the manufacture of 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-07-06 US disclosed
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
WO-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 WO disclosed
WO-2011117382-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
WO-2010094695-A1 PYRIMIDO [5,4-D] PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 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 (12 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-11053219-B2 Substituted pyridines as TYK2 inhibitors TYK2, JAK1, PDXK KCNH2 3031/4885GBA1 4097/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK KCNH2 3726/4885GBA1 3604/4885
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 KCNH2 2646/4885GBA1 1275/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KCNH2 1610/4885GBA1 3001/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KCNH2 1635/4885GBA1 2958/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KCNH2 1610/4885GBA1 3001/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 KCNH2 1966/4885GBA1 444/4885
US-11053237-B2 Process for the manufacture of 6-alkynyl-pyridine derivatives ALK, PARP16, ALKBH3 KCNH2 2471/4885GBA1 1947/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KCNH2 1618/4885GBA1 3073/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 KCNH2 3113/4885GBA1 2183/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR KCNH2 4075/4885GBA1 3871/4885
US-11236085-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 KCNH2 4309/4885GBA1 3398/4885

“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.