SCHEMBL17838874

SCHEMBL17838874

O=C(NCCN(CCc1ccc(Cl)cc1)C1CCNCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
KCNH2 Q12809 2/20 0.47
CHIT1 Q13231 2/20 0.47
CHIA Q9BZP6 2/20 0.47
CCR2 P41597 5/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MBTPS1 Q14703 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL17838863 0.78 CHIT1 (0.59) KCNH2CHIT1CHIA
SCHEMBL17838837 0.78 CHRM1 (0.49) TMEM97SIGMAR1KCNH2CHIT1CHIA
SCHEMBL28420476 0.77 TMEM97 (0.46) TMEM97SIGMAR1CCR2
SCHEMBL14117447 0.76 CYP2D6 (0.62) TMEM97SIGMAR1MAPTNPC1RAB9A
SCHEMBL1922930 0.75 RAB9A (0.74) MAPTNPC1RAB9ACYP1A2GAA
Hydrochloric Acid SCHEMBL28428746 0.74 SLC6A2 (0.45) KCNH2CHIT1CHIAMBTPS1
SCHEMBL16757238 0.74 SLC6A2 (0.56) RAB9A
SCHEMBL21574959 0.73 CHIT1 (0.41) KCNH2CHIT1CHIAMBTPS1
SCHEMBL17853354 0.72 C5AR1 (0.47) KCNH2CHIT1CHIAMBTPS1
Hydrochloric Acid SCHEMBL17838846 0.71 C5AR1 (0.46) KCNH2CHIT1CHIAMBTPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428720-B Substituted aminotriazoles as inhibitors of acid mammalian chitinase 昂科艾伦迪治疗法股份公司 2020-06-30 CN disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-10-25 EP disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 US disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 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 (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-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 TMEM97 3331/4885SIGMAR1 3476/4885KCNH2 4758/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 TMEM97 3331/4885SIGMAR1 3476/4885KCNH2 4758/4885

“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.