SCHEMBL4072060

SCHEMBL4072060

c1ccc(C2CCN(C3CCNC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
GRIN2B Q13224 3/20 0.58
SIGMAR1 Q99720 2/20 0.56
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 1/20 0.53
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47

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
Hydrochloric Acid SCHEMBL4068642 0.98 SLC18A3 (0.62) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL17460207 0.88 SLC18A3 (0.66) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL28189614 0.85 SLC18A3 (0.53) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL28189615 0.85 SLC18A3 (0.53) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL27182137 0.84 SMN1; SMN2 (0.60) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL18554691 0.84 SMN1; SMN2 (0.60) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL30833270 0.84 SMN1; SMN2 (0.60) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL31223162 0.84 SLC18A3 (0.47) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL3115994 0.80 SMN1; SMN2 (0.59) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B
SCHEMBL3128864 0.80 SMN1; SMN2 (0.59) SLC18A3SMN1; SMN2HPGDKMT2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
CN-101534824-A Aminopyrrolidines as chemokine receptor antagonists ABBOTT LAB (US) 2009-09-16 CN disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 SLC18A3 4789/4885SMN1; SMN2 3260/4885HPGD 65/4885

“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.