SCHEMBL16461973

SCHEMBL16461973

NCC(c1ccc(Cl)cc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.50
AKT1S1 Q96B36 3/20 0.49
TP53 P04637 6/20 0.47
P2RX7 Q99572 1/20 0.46
LMNA P02545 3/20 0.45
THRB P10828 2/20 0.45
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 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
SCHEMBL3669763 0.98 RPS6KB1 (0.49) RPS6KB1AKT1S1TP53P2RX7LMNA
SCHEMBL16461381 0.96 RPS6KB1 (0.50) RPS6KB1AKT1S1TP53P2RX7LMNA
SCHEMBL16461842 0.86 DPP4 (0.55) RPS6KB1AKT1S1TP53P2RX7LMNA
SCHEMBL15719175 0.84 CYP2D6 (0.62) RPS6KB1AKT1S1CYP1A2CYP2D6CYP2C19
SCHEMBL26921276 0.84 CHRM2 (0.55) RPS6KB1AKT1S1LMNAKMT2ACYP3A4
SCHEMBL18824466 0.84 DPP4 (0.60) RPS6KB1AKT1S1TP53P2RX7LMNA
SCHEMBL4731651 0.84 TP53 (0.47) TP53P2RX7LMNATHRBCYP1A2
SCHEMBL8276868 0.84 DPP4 (0.60) RPS6KB1AKT1S1TP53P2RX7LMNA
Hydrochloric Acid SCHEMBL17107338 0.83 CYP2D6 (0.60) RPS6KB1AKT1S1CYP1A2CYP2D6CYP2C19
SCHEMBL16460945 0.82 P2RX7 (0.51) RPS6KB1AKT1S1P2RX7

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307766-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2019-10-10 US disclosed
US-20190307766-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3536689-A1 2-(CYCLIC AMINEETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MindImmune Therapeutics, Inc. (US) 2019-09-11 EP disclosed
EP-3536689-A1 2-(CYCLIC AMINEETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MindImmune Therapeutics, Inc. (US) 2019-09-11 EP disclosed
EP-2906549-B1 N-(2-(CYCLIC AMINE)ETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MINDIMMUNE THERAPEUTICS INC (US) 2019-04-17 EP disclosed
EP-2906549-B1 N-(2-(CYCLIC AMINE)ETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MINDIMMUNE THERAPEUTICS INC (US) 2019-04-17 EP disclosed
US-10124010-B2 Cyclic amines MINDIMMUNE THERAPEUTICS, INC. (US) 2018-11-13 US disclosed
US-20180177793-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2018-06-28 US disclosed
US-9861639-B2 Cyclic amines H. LUNDBECK A/S (DK) 2018-01-09 US disclosed
US-9861639-B2 Cyclic amines H. LUNDBECK A/S (DK) 2018-01-09 US disclosed
CN-104955819-A N-(2-(cyclic amine)ethyl)benzamide derivatives as P2X7 inhibitors LUNDBECK & CO AS H 2015-09-30 CN disclosed
EP-2906549-A2 CYCLIC AMINES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9108938-B2 Cyclic amines H. LUNDBECK A/S (DK) 2015-08-18 US disclosed
US-9108938-B2 Cyclic amines H. LUNDBECK A/S (DK) 2015-08-18 US disclosed
US-9108938-B2 Cyclic amines H. LUNDBECK A/S (DK) 2015-08-18 US disclosed
US-20140107335-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2014-04-17 US disclosed
US-20140107335-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2014-04-17 US disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
US-20140107335-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2014-04-17 US disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 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-20190307766-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 RPS6KB1 2290/4885AKT1S1 2617/4885TP53 4835/4885
US-20140107335-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 RPS6KB1 2290/4885AKT1S1 2617/4885TP53 4835/4885
US-10124010-B2 Cyclic amines P2RX7, ADORA2A, P2RX2 RPS6KB1 2290/4885AKT1S1 2617/4885TP53 4835/4885
US-20180177793-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 RPS6KB1 2290/4885AKT1S1 2617/4885TP53 4835/4885

“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.