SCHEMBL22801967

SCHEMBL22801967

CN[C@H]1C[C@H](n2ccc3cc(F)c(N4CCN(c5ccc(C(C)=O)cc5)CC4)nc32)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL21285497 0.89 MAPT (0.38) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL22801911 0.85 JAK2 (0.37) TP53
SCHEMBL21273951 0.85 JAK2 (0.37) TP53
SCHEMBL21285512 0.82 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL21274342 0.81 RXFP1 (0.38) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL21274339 0.81 RXFP1 (0.38) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL22822660 0.74 GPR119 (0.37) KMT2ATP53MEN1
SCHEMBL21268749 0.72 PARP1 (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL21268747 0.72 PARP1 (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL22823000 0.72 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2POLBKMT2A

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 MAPT 2459/4885ALDH1A1 4838/4885SMN1; SMN2 2435/4885

“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.

Send feedback