SCHEMBL6621005

SCHEMBL6621005

NC(=O)N(c1ccccc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A3 Q01959 5/20 0.49
KCNH2 Q12809 2/20 0.48
CYP2D6 P10635 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 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
SCHEMBL27979356 0.90 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL8553350 0.86 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL7812359 0.84 TACR1 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6160138 0.83 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4604800 0.83 ALDH1A1 (0.64) TRPM8MEN1KMT2AKDM4ENPC1
SCHEMBL6629810 0.82 HTR2C (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL22797859 0.82 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL9785692 0.81 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL926462 0.80 OPRM1 (0.61) SLC6A4SLC6A2SLC6A3KCNH2MEN1
SCHEMBL15532038 0.80 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428301-A NAMPT inhibitors ABBVIE INC 2015-03-18 CN claimed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
CN-104428301-A NAMPT inhibitors ABBVIE INC 2015-03-18 CN disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 SLC6A4 117/4885SLC6A2 47/4885SLC6A3 124/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT SLC6A4 1993/4885SLC6A2 920/4885SLC6A3 1277/4885

“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.