SCHEMBL9510754

SCHEMBL9510754

COc1ccc(C(C)C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.39
KDM1A O60341 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRM2 Q14416 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL9841161 0.84 ACHE (0.55) RAB9AHTTLMNAACHEALDH1A1
SCHEMBL11444570 0.83 ACHE (0.39) RAB9AHTTLMNAMAPK1ACHE
SCHEMBL7097603 0.83 RAB9A (0.41) RAB9AHTTLMNAMAPK1ACHE
SCHEMBL1679244 0.81 ACHE (0.42) RAB9AHTTLMNAACHEALDH1A1
SCHEMBL3863536 0.80 CYP11B1 (0.42) LMNATSHRCYP11B1CYP11B2CYP1A2
SCHEMBL16798294 0.80 LMNA (0.47) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL84653 0.80 LMNA (0.47) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL11801839 0.79 TUBB4A (0.51) ACHEALDH1A1TUBB1TSHRPDE4A
SCHEMBL10667940 0.79 ALDH1A1 (0.42) RAB9AHTTACHEALDH1A1TUBB1
SCHEMBL8146022 0.79 ACHE (0.38) RAB9AHTTLMNAMAPK1ACHE

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
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 RAB9A 1921/4885HTT 860/4885LMNA 1885/4885

“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.