SCHEMBL21208498

SCHEMBL21208498

C[C@@H]1CN(c2nc3cccnc3n3c2nc2ccccc23)C[C@H](C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 5/20 0.41
▸ HTR3B O95264 5/20 0.41
▸ HTR3A P46098 5/20 0.41
▸ HTR3D Q70Z44 5/20 0.41
▸ HTR3C Q8WXA8 5/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ ZAP70 P43403 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AURKA O14965 1/20 0.35

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
SCHEMBL21208520 0.87 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208430 0.85 HRH4 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208460 0.85 HRH4 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208431 0.83 PTPN11 (0.38) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208503 0.79 HTR3B (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208562 0.76 PDE10A (0.42) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208502 0.75 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19365195 0.71 KDM4E (0.41) MAPTTSHRHSD17B10KDM4EKMT2A
SCHEMBL18059239 0.71 KDM4E (0.41) MAPTTSHRHSD17B10KDM4EKMT2A
SCHEMBL17254966 0.71 CAMKK1 (0.38) OPRM1OPRK1OPRL1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (3 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 HTR3E 1219/4885HTR3B 1460/4885HTR3A 3007/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HTR3E 2808/4885HTR3B 2778/4885HTR3A 4237/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HTR3E 1936/4885HTR3B 2156/4885HTR3A 3745/4885

“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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