SCHEMBL17709140

SCHEMBL17709140

CC(C)(C)[C@H]1COC(c2ccccn2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 7/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 7/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 4/20 0.35
TP53 P04637 3/20 0.35

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
SCHEMBL17709143 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL28384130 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL29528192 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL28741624 0.85 CNR2 (0.35) CNR2KDM4ELMNACYP1A2CCR1
Hydrochloric Acid SCHEMBL7176423 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176559 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7183257 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7180528 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7183592 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176684 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307432-A Synthesis method of alpha-substituted amide compound 南京工业大学 2024-07-09 CN claimed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN claimed
CN-118307433-A Synthesis method of beta alkylamide 南京工业大学 2024-07-09 CN claimed
CN-113372318-A Preparation method and device of 7-methoxy-4' -methyl formate flavanone 贵州中医药大学 2021-09-10 CN claimed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN disclosed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN disclosed
CN-118307432-A Synthesis method of alpha-substituted amide compound 南京工业大学 2024-07-09 CN disclosed
CN-118307433-A Synthesis method of beta alkylamide 南京工业大学 2024-07-09 CN disclosed
CN-116444400-A Chiral alpha- (trichloromethyl) amine compound and preparation method thereof 合肥工业大学 2023-07-18 CN disclosed
CN-115397824-A Process for preparing COT inhibitor compounds 吉利德科学公司 2022-11-25 CN disclosed
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20170015675-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-01-19 US disclosed
WO-2017009804-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE ABBVIE S.Á.R.L. (LU) 2017-01-19 WO disclosed
WO-2016160168-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS CYTEC INDUSTRIES INC. (US) 2016-10-06 WO disclosed
US-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS CYTEC IND INC (US) 2016-08-25 US disclosed
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 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 (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-20170015675-A1 SUBSTITUTED TRICYCLICS AND METHOD OF USE CFTR, F12, CHRM2 CNR2 322/4885KDM4E 4714/4885LMNA 3799/4885
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CNR2 567/4885KDM4E 4039/4885LMNA 3737/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CNR2 567/4885KDM4E 4039/4885LMNA 3737/4885
US-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS ATIC, ALK, ME1 CNR2 2130/4885KDM4E 1539/4885LMNA 1177/4885

“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.