SCHEMBL23123751

SCHEMBL23123751

CN1CC(C)(C)N(C(=O)NCCc2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.49
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LIPG Q9Y5X9 1/20 0.44
EPHX1 P07099 2/20 0.44
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL29789883 1.00 P2RX4 (0.49) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL24700655 0.81 P2RX4 (0.50) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123913 0.79 P2RX4 (0.48) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL29789844 0.79 P2RX4 (0.48) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123362 0.78 P2RX4 (0.47) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123809 0.78 P2RX4 (0.55) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123417 0.75 P2RX4 (0.44) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL29789660 0.75 P2RX4 (0.44) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123282 0.75 P2RX4 (0.44) P2RX4ALDH1A1RAB9AMAPTCYP3A4
SCHEMBL23123894 0.74 ALDH1A1 (0.53) P2RX4ALDH1A1RAB9AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 P2RX4 948/4885ALDH1A1 1559/4885RAB9A 2991/4885

“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.