SCHEMBL6882141

SCHEMBL6882141

CCC1(CC)CNc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KDM1A O60341 1/20 0.36
BRD4 O60885 2/20 0.36
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ATM Q13315 1/20 0.32
CREBBP Q92793 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13788693 0.85 SLC6A2 (0.35) POLBKDM1ABRD4CYP1A2KMT2A
SCHEMBL11805576 0.85 KDM1A (0.34) POLBKDM1ABRD4PDK2PDK4
SCHEMBL13788728 0.84 LMNA (0.36) POLBKDM1ABRD4CYP1A2KMT2A
SCHEMBL13849307 0.78 KDM1A (0.33) KDM1ABRD4
SCHEMBL13788727 0.77 CARM1 (0.41) KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL8524367 0.76 KDM1A (0.33) KDM1ABRD4OPRM1OPRL1ALDH1A1
SCHEMBL15811936 0.74 CMA1 (0.39) HTR2CHTR5A
SCHEMBL20747814 0.74 POLB (0.34) POLBKDM1ABRD4PDK2PDK4
SCHEMBL1031209 0.72 PDK2 (0.42) POLBKDM1ABRD4PDK2PDK4
SCHEMBL29384370 0.72 PDK2 (0.42) POLBKDM1ABRD4PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
CN-103492376-A Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LTD 2014-01-01 CN disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
EP-0435136-B1 Photographic sensitizing dyes EASTMAN KODAK CO (US) 1995-09-06 EP disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-5077191-A Thiazoline or imidazoline dyes for silver halide emulsions EASTMAN KODAK COMPANY (US) 1991-12-31 US disclosed
EP-0435136-A1 Photographic sensitizing dyes EASTMAN KODAK COMPANY (US) 1991-07-03 EP disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed
US-4607006-A Silver halide photographic light-sensitive material containing non-spectral sensitizing electron donative silver halide adsorptive compound FUJI PHOTO FILM CO., LTD. (JP) 1986-08-19 US disclosed
US-4290870-A 5-ISOXOLONE, AROMATIC CARBONYL, DIALKYLAMINO AROMATIC CARBONYL OR FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 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 (1 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 POLB 2103/4885KDM1A 26/4885BRD4 247/4885

“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.