SCHEMBL22024397

SCHEMBL22024397

CC(C)C1=C(c2ccccc2)CN(C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A4 P31645 4/20 0.35
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RGS12 O14924 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
ADRA1A P35348 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL24352150 0.80 HRH3 (0.35) KIF11SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL11544247 0.64 SLC6A2 (0.48) KIF11SLC6A2SLC6A3SLC6A4RGS12
SCHEMBL20993436 0.63 HRH3 (0.35) SLC6A2SLC6A3SLC6A4HRH3KDM4E
SCHEMBL20782183 0.63 BRD4 (0.44) HRH3ALDH1A1OPRM1KCNH2
SCHEMBL5547576 0.61 SLC6A2 (0.53) KIF11SLC6A2SLC6A3SLC6A4RGS12
SCHEMBL28220437 0.59 CFTR (0.44) ALDH1A1LMNACYP3A4CYP2D6
SCHEMBL25530169 0.59 HRH3 (0.43) HRH3OPRM1KCNH2
SCHEMBL16102977 0.59 CHRM1 (0.39) ALDH1A1HPGDPTGS2OPRM1KCNH2
SCHEMBL24352018 0.58 HRH3 (0.36) HRH3ALDH1A1OPRM1KCNH2
SCHEMBL5547573 0.58 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 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-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB KIF11 4000/4885SLC6A2 275/4885SLC6A3 669/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB KIF11 4000/4885SLC6A2 275/4885SLC6A3 669/4885

“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.