SCHEMBL21274145

SCHEMBL21274145

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCC(n5ccnc5)C4)c3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ADRA1A P35348 3/20 0.32
▸ ADRA1D P25100 2/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ TACR2 P21452 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL21274036 0.81 NPC1 (0.35) KCNH2OPRL1KMT2AADRA1AADRA1D
SCHEMBL21281578 0.81 KDM1A (0.36) OPRL1KMT2AADRA1AADRA1DADRA1B
SCHEMBL21273958 0.81 DRD2 (0.38) KCNH2OPRL1ADRA1AADRA1DADRA1B
SCHEMBL21281462 0.80 CARM1 (0.43) —
SCHEMBL21281500 0.79 ADRA1A (0.45) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL21273954 0.78 PARP1 (0.45) OPRL1ADRA1AADRA1DADRA1BDRD2
SCHEMBL21274394 0.78 NPC1 (0.37) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL21285495 0.77 PARP1 (0.42) KMT2AADRA1AADRA1DADRA1BDRD2
SCHEMBL21281469 0.76 DRD2 (0.39) OPRL1KMT2AADRA1AADRA1DADRA1B
SCHEMBL21268787 0.75 PARP1 (0.42) KMT2AADRA1AADRA1DADRA1BDRD2

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 10 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 claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
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
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO 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 KCNH2 4098/4885OPRL1 3156/4885KMT2A 4561/4885

“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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