SCHEMBL22044348

SCHEMBL22044348

Cc1cc(C)c(N)c(C(c2ccccc2)c2cc(C)cc(C)c2N)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TACR1 P25103 3/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ DPP4 P27487 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
SCHEMBL30506418 0.96 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KDM4ETACR1
SCHEMBL27840493 0.96 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KDM4ETACR1
SCHEMBL22044334 0.90 MEN1 (0.40) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL30838419 0.89 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL29191293 0.87 GAA (0.43) SLC6A2SLC6A4SLC6A3KDM4ETACR1
SCHEMBL22129247 0.86 TACR1 (0.39) SLC6A2SLC6A4SLC6A3TACR1MAPT
SCHEMBL22050676 0.85 ALDH1A1 (0.37) KDM4EMAPTALDH1A1GAALMNA
SCHEMBL29191298 0.85 NR3C1 (0.47) SLC6A2SLC6A4SLC6A3TACR1MAPT
SCHEMBL22129184 0.81 DPP4 (0.37) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL30075904 0.81 DPP4 (0.37) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2

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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-04 — — US disclosed
EP-3659996-A1 NOVEL (POLY)AMINE COMPOUND, RESIN, AND CURED PRODUCT Mitsubishi Gas Chemical Company, Inc. (JP) 2020-06-03 — — EP 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 (1 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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT PAM, CBR1, KDM1A SLC6A2 4281/4885SLC6A4 4307/4885SLC6A3 4703/4885

“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.

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