SCHEMBL2997488

SCHEMBL2997488

O=C(O)NC1CCC(c2ncc[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.46
ADRA1A P35348 3/20 0.41
PBK Q96KB5 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.36
GID4 Q8IVV7 1/20 0.36
SMYD3 Q9H7B4 3/20 0.35
F10 P00742 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17942062 0.87 ADRA1A (0.44) HTR2BADRA1AALDH1A1ADRA2AF10
SCHEMBL17942064 0.87 ADRA1A (0.44) HTR2BADRA1AALDH1A1ADRA2AF10
SCHEMBL13240711 0.79 JAK1 (0.52) PBK
SCHEMBL25519932 0.79 JAK1 (0.52) PBK
SCHEMBL196337 0.79
SCHEMBL5163454 0.77 ADRA1A (0.46) HTR2BADRA1AALDH1A1ADRA2ASMN1; SMN2
SCHEMBL7809418 0.76 ADRA1A (0.52) HTR2BADRA1AADRA2AF10
SCHEMBL4585762 0.76 ADRA1A (0.52) HTR2BADRA1AADRA2AF10
SCHEMBL16335893 0.75 SMYD3 (0.48) PBKALDH1A1L3MBTL1GID4SMYD3
SCHEMBL16335896 0.75 SMYD3 (0.48) PBKALDH1A1L3MBTL1GID4SMYD3

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-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
EP-4108663-A1 SUBSTITUTED ARYL COMPOUND Simcere Pharmaceutical Co., Ltd. (CN) 2022-12-28 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HTR2B 1675/4885ADRA1A 745/4885PBK 3187/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM HTR2B 1042/4885ADRA1A 1407/4885PBK 4612/4885

“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.