SCHEMBL18577441

SCHEMBL18577441

COC1CN(C(=O)O)[C@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
CHIT1 Q13231 1/20 0.42
CHIA Q9BZP6 1/20 0.42
TSHR P16473 1/20 0.41
S1PR5 Q9H228 1/20 0.40
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR1 P32246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
DRD4 P21917 1/20 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
SCHEMBL17541952 0.87 PSEN1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL18862947 0.87 PSEN1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL18862955 0.87 PSEN1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL17542243 0.87 PSEN1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL17542026 0.87 PSEN1 (0.43) ALDH1A1KDM4EMAPT
SCHEMBL18607658 0.83 MEN1 (0.40) KCNH2CHIT1CHIATSHRALDH1A1
SCHEMBL18589357 0.83 MEN1 (0.40) KCNH2CHIT1CHIATSHRALDH1A1
SCHEMBL17801553 0.81 PSEN1 (0.40) ALDH1A1KDM4EMAPT
SCHEMBL18577142 0.80 TSHR (0.42) TSHRS1PR5HPGDALDH1A1KDM4E
SCHEMBL18577370 0.78 CHIT1 (0.41) CHIT1CHIATSHRS1PR5HPGD

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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 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 (4 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC KCNH2 3882/4885CHIT1 2/4885CHIA 1/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC KCNH2 3882/4885CHIT1 2/4885CHIA 1/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC KCNH2 3882/4885CHIT1 2/4885CHIA 1/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC KCNH2 3882/4885CHIT1 2/4885CHIA 1/4885

“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.