SCHEMBL27228328

SCHEMBL27228328

Cc1ccc2c(n1)C(C)(C)CN2C(=O)NCC1CN(Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CHRM4 P08173 4/20 0.39
▸ CACNA1G O43497 2/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 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
SCHEMBL27228337 0.83 S1PR5 (0.43) KDM4EALDH1A1HPGDTSHRCHRM4
SCHEMBL27232294 0.82 DRD4 (0.48) MAPK1CCR3
SCHEMBL27228648 0.82 DRD4 (0.48) MAPK1CCR3
SCHEMBL27228653 0.82 DRD4 (0.48) MAPK1CCR3
SCHEMBL27228677 0.81 DPP7 (0.51) —
SCHEMBL27228263 0.80 UBE2M (0.37) ALDH1A1CHRM4CACNA1GCACNA1HCACNA1I
SCHEMBL27228264 0.80 UBE2M (0.37) ALDH1A1CHRM4CACNA1GCACNA1HCACNA1I
SCHEMBL27228408 0.80 GRIN2B (0.39) FAAH
SCHEMBL29913468 0.77 GAA (0.36) KDM4ETSHRCHRM4ACHE
SCHEMBL27228388 0.77 FAAH (0.50) ALDH1A1TSHRCHRM4FAAHTP53

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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 — — US claimed
US-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 — — 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 (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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands SIGMAR1, OPRD1, TMEM97 MAPK1 1224/4885KDM4E 4229/4885ALDH1A1 864/4885

“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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