SCHEMBL5022141

SCHEMBL5022141

Cc1ccc2c(c1)N(C)CCN2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 1/20 0.41
SRD5A1 P18405 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
F2 P00734 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL19908750 0.86 HSD17B10 (0.41) NOTUMALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL30463983 0.86 HSD17B10 (0.41) NOTUMALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL21008360 0.82 ALDH1A1 (0.37) NOTUMALDH1A1HSD17B10SRD5A1KDM4E
SCHEMBL24383360 0.82 NOTUM (0.39) NOTUMALDH1A1HSD17B10SRD5A1KDM4E
SCHEMBL17833067 0.82 ALDH1A1 (0.38) NOTUMALDH1A1HSD17B10SRD5A1KDM4E
SCHEMBL2616784 0.77 NOTUM (0.58) NOTUMALDH1A1SRD5A1KDM4ESMN1; SMN2
SCHEMBL2625792 0.76 ALDH1A1 (0.50) NOTUMALDH1A1HSD17B10SRD5A1KDM4E
SCHEMBL18363028 0.74 ALDH1A1 (0.44) NOTUMALDH1A1HSD17B10SRD5A1KDM4E
SCHEMBL21760551 0.74 CASP3 (0.41) NOTUMALDH1A1KDM4EGAAMAPT
SCHEMBL23761222 0.74 ALDH1A1 (0.47) NOTUMALDH1A1KDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed
EP-3468996-B1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2022-05-04 EP disclosed
EP-3835322-A2 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2021-06-16 EP disclosed
US-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2017-12-14 US disclosed
WO-2017214462-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214282-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 US disclosed
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-11-24 US disclosed
WO-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2014-03-27 US disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 WO disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 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-20170355769-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES HRH3, H1-3, CD274 NOTUM 3565/4885ALDH1A1 988/4885HSD17B10 2526/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 NOTUM 3840/4885ALDH1A1 2852/4885HSD17B10 3972/4885
US-20160339117-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 NOTUM 4606/4885ALDH1A1 2826/4885HSD17B10 2257/4885
US-20140088094-A1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA NOTUM 2185/4885ALDH1A1 1659/4885HSD17B10 480/4885

“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.