SCHEMBL29990780

SCHEMBL29990780

N[C@@H]1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.62
GPR183 P32249 2/20 0.55
HRH3 Q9Y5N1 3/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
HRH1 P35367 1/20 0.50
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
AKR1C3 P42330 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL21225348 1.00 HRH4 (0.62) HRH4GPR183HRH3DRD2DRD3
SCHEMBL21225350 1.00 HRH4 (0.62) HRH4GPR183HRH3DRD2DRD3
SCHEMBL4329672 0.90 HRH4 (0.65) HRH4GPR183HRH3HRH1MEN1
SCHEMBL21225412 0.90 HRH4 (0.65) HRH4GPR183HRH3HRH1MEN1
SCHEMBL29990773 0.90 HRH4 (0.65) HRH4GPR183HRH3HRH1MEN1
Hydrochloric Acid SCHEMBL4325731 0.89 HRH4 (0.64) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL21225525 0.85 HRH4 (0.46) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL29990849 0.85 HRH4 (0.46) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL21225528 0.85 HRH4 (0.46) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL1308032 0.82 HRH4 (0.62) HRH4GPR183HRH3DRD2DRD3

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-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 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 (2 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-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 HRH4 2617/4885GPR183 3673/4885HRH3 1772/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 HRH4 2369/4885GPR183 3713/4885HRH3 1604/4885

“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.