SCHEMBL9900463

SCHEMBL9900463

[c]1cccc(N2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.53
ALDH1A1 P00352 5/20 0.50
HTR3E A5X5Y0 4/20 0.50
HTR3B O95264 4/20 0.50
HTR3A P46098 4/20 0.50
HTR3D Q70Z44 4/20 0.50
HTR3C Q8WXA8 4/20 0.50
ADRB1 P08588 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTR2C P28335 3/20 0.45
CYP3A4 P08684 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 2/20 0.45
HTR1A P08908 2/20 0.45
USP2 O75604 2/20 0.45
MAPK1 P28482 2/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL22348008 0.82 CYP1A2 (0.33) PLD1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL1581515 0.82 CYP1A2 (0.37) ALDH1A1KDM4EHSD17B10CYP1A2USP2
SCHEMBL2263521 0.81 CYP1A2 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2USP2
SCHEMBL6068632 0.78 HTR3A (0.51) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL496543 0.78 HTT (0.44) ALDH1A1KDM4EHSD17B10CYP1A2MAPK1
SCHEMBL9900167 0.76 KMT2A (0.47) ALDH1A1KDM4EUSP2HTTTDP1
SCHEMBL27914157 0.73 KDM4E (0.49) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27896672 0.73 MEN1 (0.49) ALDH1A1KDM4EHSD17B10USP2MAPK1
Piperazine SCHEMBL27920772 0.72 PLD1 (0.96) PLD1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL1110327 0.70 PLD1 (0.49) PLD1ALDH1A1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
EP-4110772-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2023-01-04 EP disclosed
EP-3841098-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2021-06-30 EP disclosed
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 PLD1 3687/4885ALDH1A1 502/4885HTR3E 3724/4885

“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.