SCHEMBL1106902

SCHEMBL1106902

CC(C)N1CCN(C(C)C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM1A O60341 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
PER2 O15055 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2C P18825 1/20 0.34
MC4R P32245 1/20 0.34
POLB P06746 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
SCHEMBL1109589 0.89 CNR2 (0.41) CYP2D6SMN1; SMN2HPGDTSHRCYP2C9
SCHEMBL16525749 0.84 HPGD (0.37) CYP2D6SMN1; SMN2HPGDTSHRCYP2C9
SCHEMBL24401223 0.84 PER2 (0.38) KDM1APER2POLB
Bromide SCHEMBL28911957 0.82 HPGD (0.36) CYP2D6SMN1; SMN2HPGDTSHRCYP2C9
SCHEMBL14726015 0.81 CYP2D6 (0.59) CYP2D6CYP2C9GPBAR1POLB
SCHEMBL1102007 0.80 ALDH1A1 (0.48) TSHRMAOAMAOBPOLB
SCHEMBL16940692 0.77 KMT2A (0.44) CYP2D6CYP2C9GPBAR1POLB
SCHEMBL26092407 0.77 ALDH1A1 (0.35) KDM1APER2
SCHEMBL18352973 0.77 HPGD (0.42) CYP2D6SMN1; SMN2HPGDTSHRCYP2C9
SCHEMBL7561562 0.77 NOTUM (0.53) SMN1; SMN2HPGDKDM1APOLB

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
EP-4397656-A2 HDAC6 INHIBITORS AND IMAGING AGENTS The General Hospital Corporation (US) 2024-07-10 EP disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20220133916-A1 HDAC6 Inhibitors and Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-05-05 US disclosed
US-11207431-B2 HDAC6 inhibitors and imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2021-12-28 US disclosed
US-20200054773-A1 HDAC6 Inhibitors and Imaging Agents THE GENERAL HOSPITAL CORPORATION 2020-02-20 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 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 (5 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 CYP2D6 451/4885SMN1; SMN2 3670/4885HPGD 195/4885
US-20200054773-A1 HDAC6 Inhibitors and Imaging Agents HDAC1, HDAC6, HDAC11 CYP2D6 4740/4885SMN1; SMN2 1829/4885HPGD 1362/4885
US-11207431-B2 HDAC6 inhibitors and imaging agents HDAC1, HDAC6, HDAC11 CYP2D6 4740/4885SMN1; SMN2 1829/4885HPGD 1362/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS CYP2D6 4317/4885SMN1; SMN2 2930/4885HPGD 2410/4885
US-20220133916-A1 HDAC6 Inhibitors and Imaging Agents HDAC1, HDAC6, HDAC11 CYP2D6 4740/4885SMN1; SMN2 1829/4885HPGD 1362/4885

“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.