SCHEMBL2089696

SCHEMBL2089696

NCC=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD4 P21917 1/20 0.41
MC4R P32245 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL2089694 1.00 SIGMAR1 (0.46) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4836946 0.82 SIGMAR1 (0.52) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4292791 0.82 SIGMAR1 (0.52) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4842229 0.82 SIGMAR1 (0.52) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL5563432 0.82 SIGMAR1 (0.47) SIGMAR1LMNAALDH1A1BCHEACHE
SCHEMBL5563430 0.82 SIGMAR1 (0.47) SIGMAR1LMNAALDH1A1BCHEACHE
SCHEMBL2089277 0.81 SIGMAR1 (0.53) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29257059 0.80 SIGMAR1 (0.52) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL7240008 0.80 SIGMAR1 (0.52) SIGMAR1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL6726679 0.76 SIGMAR1 (0.50) SIGMAR1LMNAALDH1A1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US 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-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 SIGMAR1 1702/4885LMNA 3271/4885ALDH1A1 2592/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 SIGMAR1 1314/4885LMNA 3185/4885ALDH1A1 2994/4885

“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.