SCHEMBL23673375

SCHEMBL23673375

CC1(C)CC(C(=O)O)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ GABRP O00591 2/20 0.46
▸ GABRD O14764 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRG2 P18507 2/20 0.46
▸ GABRB3 P28472 2/20 0.46
▸ GABRA5 P31644 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GABRA2 P47869 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ GABRA4 P48169 2/20 0.46
▸ GABRE P78334 2/20 0.46
▸ GABRA6 Q16445 2/20 0.46
▸ GABRG1 Q8N1C3 2/20 0.46
▸ GABRG3 Q99928 2/20 0.46
▸ GABRQ Q9UN88 2/20 0.46
▸ APLNR P35414 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ CYP2C19 P33261 3/20 0.39

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
SCHEMBL29585508 0.82 KMT2A (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL24771370 0.80 CHRNB2 (0.40) ALPLSMN1; SMN2
SCHEMBL24801990 0.79 GLI1 (0.37) ALPL
Hydrochloric Acid SCHEMBL30630735 0.79 CHRNB2 (0.39) ALPLSMN1; SMN2
SCHEMBL25955125 0.78 APLNR (0.50) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL31732128 0.77 NLRP3 (0.40) CYP2C19ALPLCYP1A2CYP2D6CYP2C9
SCHEMBL29584487 0.75 TSHR (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL21005509 0.74 HRH3 (0.36) ALPL
SCHEMBL83010 0.73 APLNR (0.61) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL24802907 0.72 HTT (0.49) TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2022266162-A1 AZETIDINYL COMPOUNDS COMPRISING A CARBOXYLIC ACID GROUP FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-12-22 — — WO disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 — — US disclosed
WO-2021147974-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-07-29 — — WO 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 (2 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-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TSHR 728/4885GABRP 4072/4885GABRD 4018/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TSHR 728/4885GABRP 4072/4885GABRD 4018/4885

“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.

Send feedback