SCHEMBL7344565

SCHEMBL7344565

COC(=O)CC1(CN=C=O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7337382 1.00 TSHR (0.33) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL13508644 0.86 USP2 (0.35) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL8348826 0.83 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4
SCHEMBL8348746 0.83 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4
SCHEMBL8342800 0.81 ALDH1A1 (0.53) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL4691009 0.80 TSHR (0.43) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL8344947 0.80 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL7617831 0.79 CYP1A2 (0.41) CYP1A2
SCHEMBL5909628 0.79 CYP1A2 (0.41) CYP1A2
SCHEMBL5909625 0.79 CYP1A2 (0.41) CYP1A2

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-20080103334-A1 Process For Synthesis Of Gabapentin IPCA LABORATORIES LTD (IN) 2008-05-01 US disclosed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 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-20080103334-A1 Process For Synthesis Of Gabapentin GABRB1, GABRD, GABRB2 TSHR 4585/4885USP2 2856/4885ALDH1A1 434/4885

“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.