SCHEMBL21224920

SCHEMBL21224920

N[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.62
HRH3 Q9Y5N1 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
FPR2 P25090 1/20 0.55
NPC1 O15118 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GPR183 P32249 4/20 0.51
AKR1C3 P42330 3/20 0.49
KDR P35968 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL21225832 1.00 HRH4 (0.62) HRH4HRH3MEN1KMT2APOLB
SCHEMBL29991093 0.85 HRH4 (0.62) HRH4MEN1KMT2AFPR2NPC1
SCHEMBL21225412 0.85 HRH4 (0.65) HRH4HRH3MEN1KMT2APOLB
SCHEMBL4329672 0.85 HRH4 (0.65) HRH4HRH3MEN1KMT2APOLB
SCHEMBL21225313 0.85 HRH4 (0.62) HRH4MEN1KMT2AFPR2NPC1
SCHEMBL29990773 0.85 HRH4 (0.65) HRH4HRH3MEN1KMT2APOLB
SCHEMBL21225315 0.85 HRH4 (0.62) HRH4MEN1KMT2AFPR2NPC1
Hydrochloric Acid SCHEMBL4325731 0.84 HRH4 (0.64) HRH4HRH3MEN1KMT2APOLB
SCHEMBL25531368 0.82 HRH4 (0.62) HRH4HRH3MEN1KMT2APOLB
SCHEMBL377743 0.80 HRH4 (0.78) HRH4HRH3MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US claimed
EP-3746430-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES Padforward LLC (US) 2020-12-09 EP claimed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 WO claimed
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 US disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US disclosed
EP-3746430-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES Padforward LLC (US) 2020-12-09 EP disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 WO disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 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 (4 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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 HRH4 2377/4885HRH3 1707/4885MEN1 3497/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 HRH4 2617/4885HRH3 1772/4885MEN1 3912/4885
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 HRH4 2377/4885HRH3 1707/4885MEN1 3497/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 HRH4 2369/4885HRH3 1604/4885MEN1 3664/4885

“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.