SCHEMBL21465751

SCHEMBL21465751

COc1cnc2c(c1)CNCC2C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
HTR2A P28223 6/20 0.41
HTR2B P41595 6/20 0.41
KCNH2 Q12809 1/20 0.35
RYR2 Q92736 1/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CHRNA7 P36544 1/20 0.35
SLC6A4 P31645 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL21465822 0.79 MB (0.37) HTR2CHTR2AHTR2BKCNH2SLC6A4
SCHEMBL12969039 0.75 HTR2A (0.41) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL30331896 0.73 PNMT (0.40) CHRNA7
SCHEMBL30101455 0.73 KCNH2 (0.38) HTR2CHTR2AHTR2BKCNH2RYR2
SCHEMBL6491638 0.72 HTR2C (0.72) HTR2CHTR2AHTR2BKCNH2RYR2
SCHEMBL20851569 0.72 HRH3 (0.41) HTR2CCYP11B1CYP11B2HRH3
SCHEMBL20851239 0.72 HRH3 (0.41) HTR2CCYP11B1CYP11B2HRH3
SCHEMBL21470969 0.71 MAP3K7 (0.39)
Hydrochloric Acid SCHEMBL28483667 0.71 KCNH2 (0.37) HTR2CHTR2AHTR2BKCNH2RYR2
SCHEMBL19153317 0.71 HTR2C (0.39) HTR2CHTR2AHTR2B

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 4 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

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 HTR2C 1416/4885HTR2A 809/4885HTR2B 2514/4885

“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.