SCHEMBL5115334

SCHEMBL5115334

O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCNCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
THRB P10828 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.39

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 SCHEMBL5116601 0.99 HPGD (0.44) ALDH1A1HPGDTHRBMAPTTDP1
Trifluoroacetic Acid SCHEMBL5120141 0.93 SMN1; SMN2 (0.40) ALDH1A1HPGDTHRBMAPTTDP1
SCHEMBL2404585 0.88 ATM (0.45) ALDH1A1HPGDKMT2ALMNAGAA
Hydrochloric Acid SCHEMBL2401223 0.87 ATM (0.44) ALDH1A1HPGDKMT2AGAATSHR
SCHEMBL12825008 0.85 EPHX2 (0.47) KMT2AMEN1LMNACYP2C19CYP1A2
SCHEMBL12825219 0.85 TACR1 (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL5120599 0.84 TACR1 (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL5119487 0.84 EPHX2 (0.46) KMT2AMEN1LMNACYP2C19CYP1A2
Ammonia Solution, Strong SCHEMBL5113991 0.84 TACR1 (0.43) SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5121432 0.84 EPHX2 (0.47) KMT2AMEN1LMNACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 ALDH1A1 281/4885HPGD 100/4885THRB 1329/4885

“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.