SCHEMBL17033016

SCHEMBL17033016

CC1(NC(=O)c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MPO P05164 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2A6 P11509 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 3/20 0.48
FPR2 P25090 1/20 0.48
GRM5 P41594 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ROCK2 O75116 1/20 0.46

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
SCHEMBL12987195 0.81 FAAH (0.51) ALDH1A1KDM4ECYP2C19GAALMNA
SCHEMBL17033022 0.80 TSHR (0.58) ALDH1A1KDM4ECYP1A2CYP3A4GAA
SCHEMBL397508 0.79 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C19GAA
SCHEMBL25845297 0.79 CNR2 (0.53) ALDH1A1KDM4ECYP3A4MPOGAA
SCHEMBL13753623 0.79 KDM4E (0.51) KDM4ECRHBPCRHR2HTTMAPT
SCHEMBL17133481 0.78 FPR2 (0.59) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5509730 0.78 POLB (0.54) ALDH1A1KDM4ECYP2C19TP53LMNA
SCHEMBL186482 0.78 BDKRB1 (0.42) KDM4EROCK2
SCHEMBL17031737 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL17663690 0.76 HDAC1 (0.56) ALDH1A1CYP1A2CYP2C19TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423741-B aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2023-11-07 CN disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ALDH1A1 2261/4885KDM4E 4628/4885CYP1A2 4762/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ALDH1A1 3412/4885KDM4E 4497/4885CYP1A2 3335/4885

“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.