SCHEMBL139640

SCHEMBL139640

CC(C)Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
AOC3 Q16853 1/20 0.48
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 2/20 0.45
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 1/20 0.41
ALOX5AP P20292 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29687549 0.82 TAAR1 (0.50) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL15082795 0.82 TAAR1 (0.45) GABRA1GABRB2AOC3TAAR1IDO1
SCHEMBL3238216 0.82 TAAR1 (0.50) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL8252287 0.82 GABRA1 (0.54) GABRA1GABRB2AOC3TAAR1IDO1
SCHEMBL15160739 0.82 TAAR1 (0.45) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL24210550 0.82 TAAR1 (0.45) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL2563200 0.82 TAAR1 (0.50) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL14478267 0.82 TAAR1 (0.50) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL22204358 0.82 TAAR1 (0.45) AOC3TAAR1IDO1SLC6A2SLC6A3
SCHEMBL14718937 0.82 TAAR1 (0.45) GABRA1GABRB2AOC3TAAR1IDO1

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 353 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073742-B FLAP conditioning agents 詹森药业有限公司 2017-08-08 CN claimed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
CN-1014515-B Process for preparing nonaromatic fluoroallylamine as MAO inhibitor MERRELL DOW PHARMA (US) 1991-10-30 CN disclosed
CN-86108051-A NONAROMATIC FLUOROALLYLAMINE MAO INHIBITORS 1987-08-19 CN 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 (13 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 GABRA1 1882/4885GABRB2 2786/4885AOC3 3970/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 GABRA1 4181/4885GABRB2 3549/4885AOC3 2587/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885AOC3 3162/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885AOC3 3162/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 GABRA1 4257/4885GABRB2 3935/4885AOC3 4494/4885
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 GABRA1 4733/4885GABRB2 4799/4885AOC3 962/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 GABRA1 3746/4885GABRB2 4596/4885AOC3 4484/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 GABRA1 3503/4885GABRB2 3659/4885AOC3 4732/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 GABRA1 3985/4885GABRB2 4557/4885AOC3 2873/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 GABRA1 1707/4885GABRB2 1124/4885AOC3 930/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA GABRA1 2317/4885GABRB2 1854/4885AOC3 812/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885AOC3 434/4885
US-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 GABRA1 3200/4885GABRB2 2345/4885AOC3 2655/4885

“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.