SCHEMBL882970

SCHEMBL882970

CC(=O)c1ncc(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.50
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9852803 0.79 APLNR (0.45) APLNRRAB9AMAPTSMN1; SMN2CCR1
SCHEMBL1403879 0.77 ALDH1A1 (0.40) APLNRRAB9AMAPTALDH1A1POLB
SCHEMBL5047396 0.77 APLNR (0.48) APLNRRAB9AMAPTSMN1; SMN2POLB
SCHEMBL217899 0.77 AGBL2 (0.37) APLNRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL19425889 0.74 APLNR (0.55) APLNRRAB9AMAPTCCR1CCR5
SCHEMBL24967349 0.73 IKBKB (0.35) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL15780518 0.73 APLNR (0.41) APLNRRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10382421 0.73 ATM (0.47) APLNRRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21015648 0.73 ALDH1A1 (0.33) HDAC6ALDH1A1TP53KDM4EHSD17B10
SCHEMBL15148333 0.73 APLNR (0.41) APLNRRAB9AMAPTSMN1; SMN2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
WO-2013139822-A1 NOVEL BISOXIME MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 WO disclosed
EP-2641901-A1 Novel microbiocides Syngenta Participations AG. (CH) 2013-09-25 EP disclosed
WO-2013018735-A1 AMIDINE COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2013-02-07 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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 (3 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 APLNR 3544/4885RAB9A 2112/4885MAPT 4566/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR APLNR 3/4885RAB9A 890/4885MAPT 4334/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 APLNR 1620/4885RAB9A 1363/4885MAPT 4613/4885

“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.