SCHEMBL20099893

SCHEMBL20099893

Cc1cccc(C[C@H](N)CCO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
P2RX7 Q99572 1/20 0.37
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CXCR4 P61073 1/20 0.34
PDE8B O95263 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
MPO P05164 1/20 0.33
POLB P06746 1/20 0.33
MAOA P21397 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL20279218 1.00 NOS3 (0.37) NOS3NOS2P2RX7CCR1CCR8
SCHEMBL7027270 0.86 NOS2 (0.45) NOS3NOS2P2RX7CCR1CCR8
SCHEMBL28579008 0.81 CPB2 (0.42) NOS3NOS2ADORA2AADORA1ADORA3
SCHEMBL20278966 0.81 CPB2 (0.42) NOS3NOS2ADORA2AADORA1ADORA3
SCHEMBL20032025 0.81 NOS3 (0.41) NOS3NOS2P2RX7CCR1CCR8
SCHEMBL20897039 0.80 TAAR1 (0.47) NOS3NOS2CCR1CCR8CXCR4
SCHEMBL20278765 0.80 MPO (0.37) MPOMAOAKDM1AMAOBTAAR1
SCHEMBL6917369 0.74 NOS2 (0.35) NOS3NOS2P2RX7CCR1CCR8
Hydrochloric Acid SCHEMBL6915777 0.74 NOS2 (0.36) NOS3NOS2P2RX7CCR1CCR8
Bromide SCHEMBL6908603 0.74 NOS2 (0.36) NOS3NOS2P2RX7CCR1CCR8

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
EP-3315492-B1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2020-09-16 EP disclosed
US-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-05-14 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 EP 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-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof TRPM8, HCN3, HCN4 NOS3 1959/4885NOS2 3499/4885P2RX7 43/4885
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TRPM8, HCN3, HCN4 NOS3 1750/4885NOS2 3413/4885P2RX7 48/4885

“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.