SCHEMBL3147117

SCHEMBL3147117

CC1(C)C(=O)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.69
ALDH1A1 P00352 7/20 0.60
NPSR1 Q6W5P4 1/20 0.56
SCN9A Q15858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
P2RX7 Q99572 1/20 0.51
CTSG P08311 1/20 0.51
PRTN3 P24158 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30881990 1.00 ELANE (0.69) ELANEALDH1A1NPSR1SCN9ATDP1
SCHEMBL16315749 0.86 ELANE (0.59) ELANEALDH1A1NPSR1TDP1CTSG
SCHEMBL17377477 0.85 SCN9A (0.63) ELANESCN9ATDP1MAPTLMNA
SCHEMBL7376832 0.84 PARK7 (0.52) ELANEALDH1A1MAPTLMNAHSD17B10
SCHEMBL29131832 0.83 ALDH1A1 (0.56) ELANEALDH1A1NPSR1SCN9AP2RX1
SCHEMBL13233765 0.82 ELANE (0.58) ELANEALDH1A1NPSR1TDP1CTSG
SCHEMBL31411532 0.82 ELANE (0.58) ELANEALDH1A1TDP1CTSGPRTN3
SCHEMBL31411584 0.82 ELANE (0.47) ELANEALDH1A1NPSR1SCN9ATDP1
SCHEMBL9387447 0.82 CYP3A4 (0.54) ELANEALDH1A1LMNA
SCHEMBL21643744 0.81 HDAC6 (0.58) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567350-A Preparation method of indolone compound 暨南大学 2024-02-20 CN disclosed
CN-108752258-A Nickel is catalyzed Synthesis of Indole ketones derivant 南开大学 2018-11-06 CN disclosed
US-7687529-B2 Substituted propylamine derivatives and methods of their use WYETH LLC (US) 2010-03-30 US disclosed
CN-101277933-A Substituted propylamine derivatives and methods of their use WYETH CORP (US) 2008-10-01 CN disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 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 (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-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A ELANE 4577/4885ALDH1A1 252/4885NPSR1 65/4885

“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.