SCHEMBL21162013

SCHEMBL21162013

COC(=O)NCC1(O)CC(N)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
EPHX1 P07099 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL28320656 0.98 TSHR (0.42) TSHRALDH1A1MAPTGLAEPHX1
Hydrochloric Acid SCHEMBL20475992 0.77 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL19198740 0.76 OPRM1 (0.41) TSHRALDH1A1MEN1KMT2AOPRM1
SCHEMBL22422897 0.75 TSHR (0.67) TSHROPRM1OPRL1
SCHEMBL19250235 0.75 TSHR (0.41) TSHROPRM1OPRL1PKMSMN1; SMN2
SCHEMBL26077337 0.73 BRD4 (0.44) TSHR
SCHEMBL19194331 0.73 TSHR (0.37) TSHROPRM1OPRL1
SCHEMBL20975794 0.73 TSHR (0.37) TSHROPRM1OPRL1
SCHEMBL14342031 0.68 ALDH1A1 (0.63) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL16365228 0.68 TSHR (0.35) TSHREPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 TSHR 2905/4885ALDH1A1 417/4885MAPT 1424/4885

“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.