SCHEMBL18513025

SCHEMBL18513025

CC(C)CC1CN(C(C)C)CCO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL26869129 1.00 HRH3 (0.51) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL22996703 0.85 HRH3 (0.49) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL12122183 0.82 HRH3 (0.53) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL16000539 0.82 HRH3 (0.53) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL16000538 0.82 HRH3 (0.53) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL22893242 0.82 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24700866 0.82 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL26194411 0.81 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24139725 0.81 HRH3 (0.51) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24498744 0.81 HRH3 (0.51) HRH3CCR2KCNH2CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed
US-11014884-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 US disclosed
US-20200140384-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-07 US disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES RAJASEKHAR VIJAYKUMAR (US) 2017-09-14 US disclosed
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 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 (8 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-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES FH, FABP3, HMGCR HRH3 3308/4885CCR2 4364/4885KCNH2 2826/4885
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE HRH3 668/4885CCR2 4674/4885KCNH2 589/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HRH3 2810/4885CCR2 3123/4885KCNH2 4610/4885
US-11014884-B2 Modulators of hemoglobin HBG1, HBG2, HBB HRH3 4388/4885CCR2 4726/4885KCNH2 4253/4885
US-20170144972-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 HRH3 3422/4885CCR2 3646/4885KCNH2 4576/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HRH3 1249/4885CCR2 3699/4885KCNH2 4390/4885
US-20200140384-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB HRH3 4388/4885CCR2 4726/4885KCNH2 4253/4885
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 HRH3 525/4885CCR2 1715/4885KCNH2 3152/4885

“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.