SCHEMBL436837

SCHEMBL436837

CP(=O)(OC(=O)Nc1cc2ccccc2cc1CNC1CCN(C(=O)c2ccccc2)CC1)Oc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.44
CCR8 P51685 1/20 0.39
MASP2 O00187 1/20 0.39
CTSG P08311 1/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10317160 0.86 CD274 (0.39) BACE1ALDH1A1MAPTPOLBHPGD
SCHEMBL10317183 0.82 MEN1 (0.36) ACHEBACE1ALDH1A1TACR1MAPT
SCHEMBL436836 0.77 CTSG (0.53) DRD4MASP2CTSGBACE1TACR1
SCHEMBL10316830 0.75 HTR1D (0.42) CTSGACHEALDH1A1POLBMEN1
SCHEMBL10317008 0.74 BCHE (0.41) ACHEBACE1ALDH1A1MAPTPOLB
SCHEMBL3700524 0.74 MEN1 (0.43) ALDH1A1MAPTLMNAPOLBHPGD
SCHEMBL10316812 0.71 HTR1D (0.40) ACHEALDH1A1POLBMEN1KMT2A
SCHEMBL438417 0.66 PTGDR2 (0.36) MASP2CTSGALDH1A1LMNAPOLB
SCHEMBL640921 0.65 CCR8 (0.57) DRD4CCR8POLBMEN1KMT2A
SCHEMBL3392320 0.64 DRD4 (0.60) DRD4ACHEALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 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 (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-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 DRD4 4675/4885CCR8 527/4885MASP2 40/4885

“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.