SCHEMBL6562809

SCHEMBL6562809

CC(C)(CN)c1ccc(C(C)(C)CN)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.75
SHBG P04278 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.35
NEK1 Q96PY6 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 1/20 0.33
PRMT1 Q99873 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Hydrochloric Acid SCHEMBL6563360 0.97 TAAR1 (0.71) TAAR1SHBGESR1ESR2NPC1
SCHEMBL5877849 0.92 TAAR1 (0.65) TAAR1NPC1MAPTRAB9ATSHR
SCHEMBL10961852 0.92 TAAR1 (0.65) TAAR1SHBGESR1ESR2NPC1
SCHEMBL10574062 0.89 TAAR1 (0.62) TAAR1SHBGESR1ESR2NPC1
SCHEMBL12171 0.89 TAAR1 (0.62) TAAR1SHBGESR1ESR2NPC1
SCHEMBL8350486 0.89 TAAR1 (0.62) TAAR1SHBGESR1ESR2NPC1
SCHEMBL144362 0.87 SHBG (0.61) TAAR1SHBGESR1ESR2TSHR
SCHEMBL7676409 0.87 TAAR1 (0.60) TAAR1SHBGESR1ESR2NPC1
SCHEMBL793347 0.87 TAAR1 (0.60) TAAR1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL1619364 0.87 TAAR1 (0.60) TAAR1SHBGNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US claimed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US claimed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US claimed
US-20240209142-A1 EPOXY RESIN CURING AGENT, EPOXY RESIN COMPOSITION, AND PAINT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-27 US disclosed
US-20240209142-A1 EPOXY RESIN CURING AGENT, EPOXY RESIN COMPOSITION, AND PAINT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-27 US disclosed
US-20230227608-A1 POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-07-20 US disclosed
US-20230227608-A1 POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-07-20 US disclosed
US-20230227607-A1 POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-07-20 US disclosed
US-20230227607-A1 POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-07-20 US disclosed
EP-4201979-A1 POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-06-28 EP disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US disclosed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 TAAR1 376/4885SHBG 2667/4885ESR1 3585/4885

“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.