SCHEMBL7563172

SCHEMBL7563172

CCC(C(C)C)n1cccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
NOS1 P29475 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL11357429 0.86 NOS1 (0.33) HRH1KCNH2NOS1FDPS
SCHEMBL15158965 0.84 NOS1 (0.35) HRH1KCNH2NOS1MEN1KMT2A
SCHEMBL1198222 0.82 NOS1 (0.35) HRH1KCNH2NOS1MEN1KMT2A
SCHEMBL22547403 0.82 NOS1 (0.33) NOS1FDPS
SCHEMBL31010232 0.81 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL26854965 0.79 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL31010314 0.79 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL26854577 0.79 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL24662260 0.78
SCHEMBL3347850 0.78

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-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
EP-0807625-B1 4-(n,n-Dialkylamino)Aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO LTD (JP) 2002-08-21 EP disclosed
US-6169206-B1 4-(N,N-DIALKYLAMINO)ANILINE COMPOUNDS USEFUL AS DEVELOPING AGENTS FOR SILVER HALIDE COLOR PHOTOGRAPHY OR AS DYES OR INTERMEDIATES FUJI PHOTO FILM CO., LTD. (JP) 2001-01-02 US disclosed
US-6043006-A 4-(N,N-dialkylamino)aniline compound, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 2000-03-28 US disclosed
US-5994546-A 4-(N,N-DIALKYLAMINO)ANILINE COMPOUNDS HAVING A 4-N SUBSTITUENT WHICH IS A POLYETHYLENEOXY GROUP AND WHICH FORMS A CONDENSED RING WITH BENZENE RING FUJI PHOTO FILM CO., LTD. (JP) 1999-11-30 US disclosed
US-5773203-A 4-(N,N-dialkylamino)aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 1998-06-30 US disclosed
EP-0807625-A1 4-(n,n-Dialkylamino)Aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 1997-11-19 EP 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-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 HRH1 207/4885KCNH2 565/4885NOS1 1088/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 HRH1 827/4885KCNH2 2504/4885NOS1 371/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 HRH1 827/4885KCNH2 2504/4885NOS1 371/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 HRH1 2500/4885KCNH2 4836/4885NOS1 747/4885

“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.